[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone

C21H13Cl2NO2 — CID 68630520

IUPAC[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1-n1cc(O)c2ccc(Cl)cc21
InChIInChI=1S/C21H13Cl2NO2/c22-14-6-8-16-18(10-14)24(12-20(16)25)19-11-15(23)7-9-17(19)21(26)13-4-2-1-3-5-13/h1-12,25H
InChIKeyJAKLQIHWQKFGCB-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.87
Rot. Bonds3

About [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone

[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone (PubChem CID 68630520) has the molecular formula C21H13Cl2NO2 and a molecular weight of 382.25 g/mol. Its IUPAC name is [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
PubChem CID68630520
Molecular FormulaC21H13Cl2NO2
Molecular Weight382.25 g/mol
Exact Mass381.03
IUPAC Name[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)cc1-n1cc(O)c2ccc(Cl)cc21
InChIInChI=1S/C21H13Cl2NO2/c22-14-6-8-16-18(10-14)24(12-20(16)25)19-11-15(23)7-9-17(19)21(26)13-4-2-1-3-5-13/h1-12,25H
InChIKeyJAKLQIHWQKFGCB-UHFFFAOYSA-N
XLogP5.87
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The IUPAC name of [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone (CID 68630520) is [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The canonical SMILES for [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Cl)cc1-n1cc(O)c2ccc(Cl)cc21.
What is the InChIKey of [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
The InChIKey is JAKLQIHWQKFGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2NO2/c22-14-6-8-16-18(10-14)24(12-20(16)25)19-11-15(23)7-9-17(19)21(26)13-4-2-1-3-5-13/h1-12,25H.
What are the key properties of [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone?
[4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone has a molecular weight of 382.25 g/mol, XLogP of 5.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(6-chloro-3-hydroxyindol-1-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 68630520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).