3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole

C20H20ClNO4 — CID 162653267

IUPAC3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H20ClNO4/c1-23-17-6-5-12(7-16(17)21)14-10-22-11-15(14)13-8-18(24-2)20(26-4)19(9-13)25-3/h5-11,22H,1-4H3
InChIKeySRMUBSNMQZHORC-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.04
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole

3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole (PubChem CID 162653267) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
PubChem CID162653267
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole
SMILESCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C20H20ClNO4/c1-23-17-6-5-12(7-16(17)21)14-10-22-11-15(14)13-8-18(24-2)20(26-4)19(9-13)25-3/h5-11,22H,1-4H3
InChIKeySRMUBSNMQZHORC-UHFFFAOYSA-N
XLogP5.04
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892
3-(3-chloro-4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 79324952
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1-[4-(3-chloro-4-methoxyphenyl)-3-methylphenyl]ethanone
CID 24996134
[3-(3-chloro-4-methoxyphenyl)-4-fluorophenyl]methanamine
CID 54910650
1,5-dichloro-2-(3,4-dichlorophenyl)-4-methoxybenzene
CID 10381430
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
2-(3-chloro-4-methoxyphenyl)-5-fluorobenzoic acid
CID 53211241
4-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 141185580

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole (CID 162653267) is 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole is COc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
The InChIKey is SRMUBSNMQZHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-23-17-6-5-12(7-16(17)21)14-10-22-11-15(14)13-8-18(24-2)20(26-4)19(9-13)25-3/h5-11,22H,1-4H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole?
3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole has a molecular weight of 373.84 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 162653267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).