(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone

C19H17NO3 — CID 90646653

IUPAC(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c[nH]cc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H17NO3/c1-22-15-8-6-13(7-9-15)19(21)18-12-20-11-17(18)14-4-3-5-16(10-14)23-2/h3-12,20H,1-2H3
InChIKeyFRTVQWAWOMHFRT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.93
Rot. Bonds5

About (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone

(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone (PubChem CID 90646653) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
PubChem CID90646653
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone
SMILESCOc1ccc(C(=O)c2c[nH]cc2-c2cccc(OC)c2)cc1
InChIInChI=1S/C19H17NO3/c1-22-15-8-6-13(7-9-15)19(21)18-12-20-11-17(18)14-4-3-5-16(10-14)23-2/h3-12,20H,1-2H3
InChIKeyFRTVQWAWOMHFRT-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

[4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 90646188
(2-hydroxy-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 13466519
5-methoxy-2-(4-phenylbenzoyl)benzoic acid
CID 69209013
[2-hydroxy-5-[12-(3-methoxyphenyl)chrysen-6-yl]phenyl]-phenylmethanone
CID 138600690
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
2-(3-methoxyanilino)-2-phenyl-1-(4-phenyl-1H-pyrrol-3-yl)ethanone
CID 86272430
(4-hydroxyphenyl)-[2-(3-methoxyphenyl)naphthalen-1-yl]methanone
CID 19362229
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone (CID 90646653) is (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone is COc1ccc(C(=O)c2c[nH]cc2-c2cccc(OC)c2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
The InChIKey is FRTVQWAWOMHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-15-8-6-13(7-9-15)19(21)18-12-20-11-17(18)14-4-3-5-16(10-14)23-2/h3-12,20H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone?
(4-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone 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-methoxyphenyl)-[4-(3-methoxyphenyl)-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 90646653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).