2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole

C18H16ClNO — CID 91755872

IUPAC2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-n2c(C)ccc2-c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClNO/c1-13-10-11-18(16-8-3-4-9-17(16)19)20(13)14-6-5-7-15(12-14)21-2/h3-12H,1-2H3
InChIKeyMTQWORHJNFQXQM-UHFFFAOYSA-N
MW297.79 g/mol
LogP5.11
Rot. Bonds3

About 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole

2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole (PubChem CID 91755872) has the molecular formula C18H16ClNO and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
PubChem CID91755872
Molecular FormulaC18H16ClNO
Molecular Weight297.79 g/mol
Exact Mass297.09
IUPAC Name2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole
SMILESCOc1cccc(-n2c(C)ccc2-c2ccccc2Cl)c1
InChIInChI=1S/C18H16ClNO/c1-13-10-11-18(16-8-3-4-9-17(16)19)20(13)14-6-5-7-15(12-14)21-2/h3-12H,1-2H3
InChIKeyMTQWORHJNFQXQM-UHFFFAOYSA-N
XLogP5.11
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.79
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(3-methoxyphenyl)-5-methylpyrrole
CID 91755634
2-(furan-3-yl)-1-(3-methoxyphenyl)-5-methylpyrrole
CID 53417090
3-(2-chlorophenyl)-5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 3935725
4-chloro-1-(3-methoxyphenyl)-2-methylbenzimidazole;3-(4-chloro-2-methylbenzimidazol-1-yl)phenol
CID 157392946
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
1-(3-chloro-4-fluorophenyl)-2-methyl-5-phenylpyrrole
CID 4763712
4-(2-chlorophenyl)-6-(3-methoxyphenyl)pyrimidin-2-amine
CID 75359889
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
1-(3-methoxyphenyl)azepane
CID 57276431
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
5-(2,6-dichlorophenyl)-2-(3-methoxyphenyl)-4H-1,2,4-triazol-3-one
CID 141387646
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole (CID 91755872) is 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole is COc1cccc(-n2c(C)ccc2-c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole?
The InChIKey is MTQWORHJNFQXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO/c1-13-10-11-18(16-8-3-4-9-17(16)19)20(13)14-6-5-7-15(12-14)21-2/h3-12H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole?
2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole has a molecular weight of 297.79 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-methoxyphenyl)-5-methylpyrrole is sourced from PubChem (CID 91755872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).