[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone

C21H14ClNO2 — CID 68631607

IUPAC[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-n1cc(O)c2c(Cl)cccc21
InChIInChI=1S/C21H14ClNO2/c22-16-10-6-12-18-20(16)19(24)13-23(18)17-11-5-4-9-15(17)21(25)14-7-2-1-3-8-14/h1-13,24H
InChIKeyPUAJFUMBVFWJBM-UHFFFAOYSA-N
MW347.80 g/mol
LogP5.22
Rot. Bonds3

About [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone

[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone (PubChem CID 68631607) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
PubChem CID68631607
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1-n1cc(O)c2c(Cl)cccc21
InChIInChI=1S/C21H14ClNO2/c22-16-10-6-12-18-20(16)19(24)13-23(18)17-11-5-4-9-15(17)21(25)14-7-2-1-3-8-14/h1-13,24H
InChIKeyPUAJFUMBVFWJBM-UHFFFAOYSA-N
XLogP5.22
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone (CID 68631607) is [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1-n1cc(O)c2c(Cl)cccc21.
What is the InChIKey of [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The InChIKey is PUAJFUMBVFWJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-16-10-6-12-18-20(16)19(24)13-23(18)17-11-5-4-9-15(17)21(25)14-7-2-1-3-8-14/h1-13,24H.
What are the key properties of [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
[2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone has a molecular weight of 347.80 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 68631607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).