3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one

Catalog Number	ACM448905826
CAS Number	448905-82-6
Structure
Synonyms	3-(4-Methoxyphenyl)-1-(1H-pyrrol-1-yl)-1-propanone
IUPAC Name	3-(4-Methoxyphenyl)-1-pyrrol-1-ylpropan-1-one
Molecular Weight	229.27
Molecular Formula	C14H15NO2
Canonical SMILES	COC1=CC=C(C=C1)CCC(=O)N2C=CC=C2
InChI	InChI=1S/C14H15NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h2-5,7-8,10-11H,6,9H2,1H3
InChI Key	DLHIPWLSQXISAB-UHFFFAOYSA-N
Purity	98%
Appearance	Solid
Complexity	241
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	229.110278721
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Monoisotopic Mass	229.110278721
PhysicalState	Solid
Rotatable Bond Count	4
Topological Polar Surface Area	31.2 Ų

Custom Q&A

What is the chemical name of the compound with the CAS number 448905-82-6?

The chemical name is 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one.

What are some synonyms for 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

Some synonyms include 3-(4-Methoxyphenyl)-1-(1H-pyrrol-1-yl)-1-propanone and 3-(4-methoxyphenyl)-1-(1H-pyrrol-1-yl)propan-1-one.

What is the molecular formula of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The molecular formula is C14H15NO2.

What is the molecular weight of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The molecular weight is 229.27 g/mol.

What is the predicted boiling point of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The predicted boiling point is 381.2±25.0 °C.

What is the predicted density of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The predicted density is 1.06±0.1 g/cm3.

What is the predicted pKa value of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The predicted pKa value is -6.08±0.70.

How many carbons are in the main chain of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

There are 3 carbons in the main chain.

Which functional groups are present in 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The compound contains a ketone group and a phenyl group.

What is the significance of the pyrrol-1-yl group in the structure of 3-(4-Methoxyphenyl)-1-(pyrrol-1-yl)propan-1-one?

The pyrrol-1-yl group contributes to the overall structure and properties of the compound.

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