1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone

C19H16ClNO3 — CID 14920247

IUPAC1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
SMILESCC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO3/c1-10-19(12(3)23)16-9-18(24)15(11(2)22)8-17(16)21(10)14-6-4-13(20)5-7-14/h4-9,24H,1-3H3
InChIKeyKQLWJLDOTWQHFL-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.70
Rot. Bonds3

About 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone

1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone (PubChem CID 14920247) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
PubChem CID14920247
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Name1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone
SMILESCC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO3/c1-10-19(12(3)23)16-9-18(24)15(11(2)22)8-17(16)21(10)14-6-4-13(20)5-7-14/h4-9,24H,1-3H3
InChIKeyKQLWJLDOTWQHFL-UHFFFAOYSA-N
XLogP4.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-acetyl-6-bromo-1-(4-chlorophenyl)-2-methylindol-5-yl]oxyacetyl]-5-methyl-4H-pyrazol-3-one
CID 124828074
1-[4-(4-chlorophenyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]ethanone
CID 71739648
6-[3-acetyl-5-methoxy-2-methyl-1-(4-methylphenyl)indol-6-yl]-2-amino-4-(4-chlorophenyl)pyridine-3-carbonitrile
CID 10506173
[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl] acetate
CID 711025
1-(2-methyl-1-phenyl-5-propan-2-yloxyindol-3-yl)ethanone
CID 46891659
1-[1-(4-chlorophenyl)-4,6-dimethyl-2-sulfanylidene-3-pyridinyl]ethanone
CID 4195179
2-chloro-1-[1-(4-chlorophenyl)-2-methyl-6-(oxetan-3-ylmethyl)indol-3-yl]ethanone
CID 146979641
1-(3-acetyl-5-hydroxy-2-methyl-4-nitro-1-phenylindol-6-yl)ethanone
CID 11638893
1-[1-(4-chlorophenyl)-2-methyl-5-naphthalen-2-ylpyrrol-3-yl]ethanone
CID 132600498
3-acetyl-1-(5-chloro-2-methylphenyl)-4-hydroxy-6-methylpyridin-2-one
CID 54678218
1-(5-acetyl-3,6-dihydroxynaphthalen-2-yl)ethanone
CID 57373263
1-[2-methyl-1-(4-methylphenyl)-5-prop-2-enoxyindol-3-yl]ethanone
CID 10403677

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone?
The IUPAC name of 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone (CID 14920247) is 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone.
What is the SMILES notation for 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone?
The canonical SMILES for 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone is CC(=O)c1cc2c(cc1O)c(C(C)=O)c(C)n2-c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone?
The InChIKey is KQLWJLDOTWQHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-10-19(12(3)23)16-9-18(24)15(11(2)22)8-17(16)21(10)14-6-4-13(20)5-7-14/h4-9,24H,1-3H3.
What are the key properties of 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone?
1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone has a molecular weight of 341.79 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-1-(4-chlorophenyl)-5-hydroxy-2-methylindol-6-yl]ethanone is sourced from PubChem (CID 14920247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).