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

C17H14ClNO2 — CID 708055

IUPAC1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc12
InChIInChI=1S/C17H14ClNO2/c1-10-17(11(2)20)15-9-14(21)6-7-16(15)19(10)13-5-3-4-12(18)8-13/h3-9,21H,1-2H3
InChIKeyZHYQMMSVIYYFCL-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.50
Rot. Bonds2

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

1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone (PubChem CID 708055) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
PubChem CID708055
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone
SMILESCC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc12
InChIInChI=1S/C17H14ClNO2/c1-10-17(11(2)20)15-9-14(21)6-7-16(15)19(10)13-5-3-4-12(18)8-13/h3-9,21H,1-2H3
InChIKeyZHYQMMSVIYYFCL-UHFFFAOYSA-N
XLogP4.50
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone (CID 708055) is 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone is CC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(O)cc12.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
The InChIKey is ZHYQMMSVIYYFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-10-17(11(2)20)15-9-14(21)6-7-16(15)19(10)13-5-3-4-12(18)8-13/h3-9,21H,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone?
1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone has a molecular weight of 299.76 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-hydroxy-2-methylindol-3-yl]ethanone is sourced from PubChem (CID 708055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).