3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one

C25H22ClNO2 — CID 11611112

IUPAC3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1cccc(C(=O)CC(c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C25H22ClNO2/c1-16-25(21-8-3-4-9-23(21)27-16)22(17-10-12-19(26)13-11-17)15-24(28)18-6-5-7-20(14-18)29-2/h3-14,22,27H,15H2,1-2H3
InChIKeyXSKOMKPMVLUDDC-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.54
Rot. Bonds6

About 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one

3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one (PubChem CID 11611112) has the molecular formula C25H22ClNO2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
PubChem CID11611112
Molecular FormulaC25H22ClNO2
Molecular Weight403.91 g/mol
Exact Mass403.13
IUPAC Name3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
SMILESCOc1cccc(C(=O)CC(c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C25H22ClNO2/c1-16-25(21-8-3-4-9-23(21)27-16)22(17-10-12-19(26)13-11-17)15-24(28)18-6-5-7-20(14-18)29-2/h3-14,22,27H,15H2,1-2H3
InChIKeyXSKOMKPMVLUDDC-UHFFFAOYSA-N
XLogP6.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
3-(1H-indol-3-yl)-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 102170720
2-(1H-indol-3-yl)-4-(3-methoxyphenyl)-4-oxobutanoic acid
CID 129234967
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
2-(5-methoxy-2-methyl-1H-indol-3-yl)-3-oxo-3-phenylpropanoyl chloride
CID 57137228
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-naphthalen-2-ylpropan-1-one
CID 126715490
3-methoxy-N-[2-methyl-2-(2-methyl-1H-indol-3-yl)propyl]benzamide
CID 113085675
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one (CID 11611112) is 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one is COc1cccc(C(=O)CC(c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one?
The InChIKey is XSKOMKPMVLUDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO2/c1-16-25(21-8-3-4-9-23(21)27-16)22(17-10-12-19(26)13-11-17)15-24(28)18-6-5-7-20(14-18)29-2/h3-14,22,27H,15H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one?
3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one has a molecular weight of 403.91 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(3-methoxyphenyl)-3-(2-methyl-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 11611112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).