1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone

C23H21NO2 — CID 17383283

IUPAC1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2cc(C)cc(C)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C23H21NO2/c1-13-9-14(2)11-17(10-13)24-15(3)22(16(4)25)20-12-21(26)18-7-5-6-8-19(18)23(20)24/h5-12,26H,1-4H3
InChIKeySSZUYLWAKPXULM-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.62
Rot. Bonds2

About 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone

1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone (PubChem CID 17383283) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone
PubChem CID17383283
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2cc(C)cc(C)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C23H21NO2/c1-13-9-14(2)11-17(10-13)24-15(3)22(16(4)25)20-12-21(26)18-7-5-6-8-19(18)23(20)24/h5-12,26H,1-4H3
InChIKeySSZUYLWAKPXULM-UHFFFAOYSA-N
XLogP5.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone 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

1-[4-acetyl-1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 767201
1-(5-methoxy-2-methyl-1-phenylbenzo[g]indol-3-yl)ethanone
CID 53308687
2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
CID 17138750
ethyl 5-(3,5-dimethylbenzoyl)oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
CID 3444588
1-(4-acetyl-2,3-dihydroxynaphthalen-1-yl)ethanone
CID 57373259
1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
CID 14920247
1-(10-acetylanthracen-9-yl)ethanone
CID 12739255
acetic acid;2-methylnaphthalene-1,4-diol
CID 57358360
1-(1-hydroxyanthracen-9-yl)ethanone
CID 21140475
ethyl 1-[(2-chlorophenyl)methyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
CID 17370080
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenylpyridin-2-one
CID 54691801
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone (CID 17383283) is 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone is CC(=O)c1c(C)n(-c2cc(C)cc(C)c2)c2c1cc(O)c1ccccc12.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone?
The InChIKey is SSZUYLWAKPXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-13-9-14(2)11-17(10-13)24-15(3)22(16(4)25)20-12-21(26)18-7-5-6-8-19(18)23(20)24/h5-12,26H,1-4H3.
What are the key properties of 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone?
1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 5.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-5-hydroxy-2-methylbenzo[g]indol-3-yl]ethanone is sourced from PubChem (CID 17383283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).