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

C16H14ClNO — CID 11821732

IUPAC[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H14ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10,19H,9,11H2
InChIKeyWOUBLGRNDINCJL-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.84
Rot. Bonds3

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

[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol (PubChem CID 11821732) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
PubChem CID11821732
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol
SMILESOCc1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C16H14ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10,19H,9,11H2
InChIKeyWOUBLGRNDINCJL-UHFFFAOYSA-N
XLogP3.84
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol (CID 11821732) is [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol is OCc1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
The InChIKey is WOUBLGRNDINCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-7-5-12(6-8-14)9-18-10-13(11-19)15-3-1-2-4-16(15)18/h1-8,10,19H,9,11H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol?
[1-[(4-chlorophenyl)methyl]indol-3-yl]methanol has a molecular weight of 271.75 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 11821732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).