2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole

C12H12ClNO2 — CID 175418289

IUPAC2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(Cl)c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C12H12ClNO2/c1-15-11-6-8(10-4-3-5-14-10)9(13)7-12(11)16-2/h3-7,14H,1-2H3
InChIKeyBMLMNTOTOSOLQT-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole

2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole (PubChem CID 175418289) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
PubChem CID175418289
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
SMILESCOc1cc(Cl)c(-c2ccc[nH]2)cc1OC
InChIInChI=1S/C12H12ClNO2/c1-15-11-6-8(10-4-3-5-14-10)9(13)7-12(11)16-2/h3-7,14H,1-2H3
InChIKeyBMLMNTOTOSOLQT-UHFFFAOYSA-N
XLogP3.35
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
CID 135036019
N-ethyl-4-methoxy-3-(1H-pyrrol-2-yl)aniline
CID 71046837
2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
CID 169050010
2-(2-chloro-4,5-dimethoxyphenyl)-1-methylpyrrole
CID 175418287
2-(2-bromo-4-methoxyphenyl)-1H-pyrrole
CID 167495412
2-[5-(benzenesulfonyl)-2-methoxyphenyl]-1H-pyrrole
CID 22403085
3-methoxy-N-(4-methylphenyl)-4-(1H-pyrrol-2-yl)benzenesulfonamide
CID 139733667
2-(3-chloro-2-fluorophenyl)-1H-pyrrole
CID 137332738
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
3-(2-chloro-4,5-dimethoxyphenyl)-5-deuterio-1,2-oxazole
CID 175903658
4-chloro-2-methoxy-5-phenylphenol
CID 132557870
1-[4-chloro-2-(1H-pyrrol-2-yl)phenyl]-N-methylmethanamine
CID 103341628

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole?
The IUPAC name of 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole (CID 175418289) is 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole?
The canonical SMILES for 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole is COc1cc(Cl)c(-c2ccc[nH]2)cc1OC.
What is the InChIKey of 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole?
The InChIKey is BMLMNTOTOSOLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-15-11-6-8(10-4-3-5-14-10)9(13)7-12(11)16-2/h3-7,14H,1-2H3.
What are the key properties of 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole?
2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole has a molecular weight of 237.69 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 175418289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).