2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole

C25H22ClNO — CID 141257237

IUPAC2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole
SMILESCOc1cccc(Cc2cn(C)c(-c3ccc(Cl)cc3)c2-c2ccccc2)c1
InChIInChI=1S/C25H22ClNO/c1-27-17-21(15-18-7-6-10-23(16-18)28-2)24(19-8-4-3-5-9-19)25(27)20-11-13-22(26)14-12-20/h3-14,16-17H,15H2,1-2H3
InChIKeyNGXHRCOQPFSKBZ-UHFFFAOYSA-N
MW387.91 g/mol
LogP6.61
Rot. Bonds5

About 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole

2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole (PubChem CID 141257237) has the molecular formula C25H22ClNO and a molecular weight of 387.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole
PubChem CID141257237
Molecular FormulaC25H22ClNO
Molecular Weight387.91 g/mol
Exact Mass387.14
IUPAC Name2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole
SMILESCOc1cccc(Cc2cn(C)c(-c3ccc(Cl)cc3)c2-c2ccccc2)c1
InChIInChI=1S/C25H22ClNO/c1-27-17-21(15-18-7-6-10-23(16-18)28-2)24(19-8-4-3-5-9-19)25(27)20-11-13-22(26)14-12-20/h3-14,16-17H,15H2,1-2H3
InChIKeyNGXHRCOQPFSKBZ-UHFFFAOYSA-N
XLogP6.61
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-[(2-phenylphenyl)methyl]benzene
CID 150811208
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-3-phenylbenzene
CID 173189759
anisole;1,4-dichlorobenzene
CID 175517246
2-chloro-1-fluoro-4-(3-methoxyphenyl)benzene
CID 91071120
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
[2-[(3-methoxyphenyl)methyl]phenyl]-trimethylsilane
CID 171716633
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
5-(4-chlorophenyl)-N-[(3-methoxyphenyl)methyl]furan-2-amine;hydrochloride
CID 174664684
3-(4-chlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazolo[4,3-c]quinoline
CID 2137227
4-[(3-methoxyphenyl)methyl]-1-methylpyrazol-5-amine
CID 82024382
2-[4-chloro-N-[(3-methoxyphenyl)methyl]anilino]acetic acid
CID 39436802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole?
The IUPAC name of 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole (CID 141257237) is 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole is COc1cccc(Cc2cn(C)c(-c3ccc(Cl)cc3)c2-c2ccccc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole?
The InChIKey is NGXHRCOQPFSKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO/c1-27-17-21(15-18-7-6-10-23(16-18)28-2)24(19-8-4-3-5-9-19)25(27)20-11-13-22(26)14-12-20/h3-14,16-17H,15H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole?
2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole has a molecular weight of 387.91 g/mol, XLogP of 6.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(3-methoxyphenyl)methyl]-1-methyl-3-phenylpyrrole is sourced from PubChem (CID 141257237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).