[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol

C16H13Cl2NO — CID 52951099

IUPAC[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2NO/c17-13-3-1-11(2-4-13)8-19-9-12(10-20)15-7-14(18)5-6-16(15)19/h1-7,9,20H,8,10H2
InChIKeyUPXPHLYPHUYRAT-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.49
Rot. Bonds3

About [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol

[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol (PubChem CID 52951099) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
PubChem CID52951099
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13Cl2NO/c17-13-3-1-11(2-4-13)8-19-9-12(10-20)15-7-14(18)5-6-16(15)19/h1-7,9,20H,8,10H2
InChIKeyUPXPHLYPHUYRAT-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol (CID 52951099) is [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol is OCc1cn(Cc2ccc(Cl)cc2)c2ccc(Cl)cc12.
What is the InChIKey of [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The InChIKey is UPXPHLYPHUYRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-3-1-11(2-4-13)8-19-9-12(10-20)15-7-14(18)5-6-16(15)19/h1-7,9,20H,8,10H2.
What are the key properties of [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
[5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol has a molecular weight of 306.19 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(4-chlorophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 52951099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).