[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone

C19H17NO3 — CID 90646188

IUPAC[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2c[nH]cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-17-9-8-14(10-18(17)23-2)15-11-20-12-16(15)19(21)13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyNWRFMQSKSZCCQU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.93
Rot. Bonds5

About [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone

[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone (PubChem CID 90646188) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
PubChem CID90646188
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
SMILESCOc1ccc(-c2c[nH]cc2C(=O)c2ccccc2)cc1OC
InChIInChI=1S/C19H17NO3/c1-22-17-9-8-14(10-18(17)23-2)15-11-20-12-16(15)19(21)13-6-4-3-5-7-13/h3-12,20H,1-2H3
InChIKeyNWRFMQSKSZCCQU-UHFFFAOYSA-N
XLogP3.93
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-5-benzoyl-4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 53301720
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764
(2-benzoyl-4,5-dimethoxyphenyl) benzoate
CID 141249986
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550
[5-(3-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]-phenylmethanone
CID 15451931
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
CID 102341182
(2-hydroxy-5-methoxy-3,4-diphenylphenyl)-phenylmethanone
CID 10948907
N'-benzoyl-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 43012762

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone (CID 90646188) is [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone is COc1ccc(-c2c[nH]cc2C(=O)c2ccccc2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone?
The InChIKey is NWRFMQSKSZCCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-17-9-8-14(10-18(17)23-2)15-11-20-12-16(15)19(21)13-6-4-3-5-7-13/h3-12,20H,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone?
[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 90646188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).