indol-1-yl-(4-methylphenyl)methanone

C16H13NO — CID 10955526

IUPACindol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C16H13NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-11H,1H3
InChIKeyIGYQLLRMNWMUPR-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.64
Rot. Bonds1

About indol-1-yl-(4-methylphenyl)methanone

indol-1-yl-(4-methylphenyl)methanone (PubChem CID 10955526) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is indol-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Nameindol-1-yl-(4-methylphenyl)methanone
PubChem CID10955526
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Nameindol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)n2ccc3ccccc32)cc1
InChIInChI=1S/C16H13NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-11H,1H3
InChIKeyIGYQLLRMNWMUPR-UHFFFAOYSA-N
XLogP3.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze indol-1-yl-(4-methylphenyl)methanone 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

indol-1-yl-(2-methoxyphenyl)methanone
CID 39846486
1-indol-1-ylethanone;hydrochloride
CID 21333501
1,3-benzodioxol-5-yl(indol-1-yl)methanone
CID 11129204
(4-methylphenyl)-(10-phenylpyrrolo[2,3-a]carbazol-1-yl)methanone
CID 118316044
benzimidazol-1-yl-(4-methylphenyl)methanone
CID 710618
1-indol-1-yl-2-methylpropan-1-one
CID 12637473
8-[[4-(indole-1-carbonyl)phenyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione
CID 67650610
1-(4-methylbenzoyl)indole-3-carbonitrile
CID 14978069
3-(4-methylbenzoyl)-1,3-benzothiazol-2-one
CID 14449193
2,2-dichloro-1-indol-1-ylethanone
CID 15325054
fluoro indole-1-carboxylate
CID 129249849
cyclohexen-1-yl(indol-1-yl)methanone
CID 71503982

Frequently Asked Questions

What is the IUPAC name of indol-1-yl-(4-methylphenyl)methanone?
The IUPAC name of indol-1-yl-(4-methylphenyl)methanone (CID 10955526) is indol-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for indol-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for indol-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)n2ccc3ccccc32)cc1.
What is the InChIKey of indol-1-yl-(4-methylphenyl)methanone?
The InChIKey is IGYQLLRMNWMUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-11H,1H3.
What are the key properties of indol-1-yl-(4-methylphenyl)methanone?
indol-1-yl-(4-methylphenyl)methanone has a molecular weight of 235.29 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indol-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 10955526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).