(2-benzyl-1H-indol-3-yl)methanol

C16H15NO — CID 129187349

IUPAC(2-benzyl-1H-indol-3-yl)methanol
SMILESOCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H15NO/c18-11-14-13-8-4-5-9-15(13)17-16(14)10-12-6-2-1-3-7-12/h1-9,17-18H,10-11H2
InChIKeyHWOIKRQGBOTHNE-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.25
Rot. Bonds3

About (2-benzyl-1H-indol-3-yl)methanol

(2-benzyl-1H-indol-3-yl)methanol (PubChem CID 129187349) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is (2-benzyl-1H-indol-3-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-1H-indol-3-yl)methanol
PubChem CID129187349
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name(2-benzyl-1H-indol-3-yl)methanol
SMILESOCc1c(Cc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C16H15NO/c18-11-14-13-8-4-5-9-15(13)17-16(14)10-12-6-2-1-3-7-12/h1-9,17-18H,10-11H2
InChIKeyHWOIKRQGBOTHNE-UHFFFAOYSA-N
XLogP3.25
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze (2-benzyl-1H-indol-3-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-benzyl-3-ethyl-1H-indole
CID 13115106
2-benzyl-1H-indol-3-amine
CID 67876324
2-benzyl-3-ethyl-1H-quinolin-4-one
CID 131850781
ethyl 2-amino-3-(2-benzyl-1H-indol-3-yl)propanoate
CID 134906934
3-benzyl-2-chloro-1H-indole
CID 12605517
2-(3-benzyl-1H-indol-2-yl)phenol
CID 142650095
2-benzyl-3-butyl-1H-quinolin-4-one
CID 131850780
2-[2-[(4-chlorophenyl)methyl]-1H-indol-3-yl]ethanamine
CID 70181806
N-(2-benzyl-1H-indol-3-yl)-N-ethylacetamide
CID 67842609
3-benzyl-1H-indole-2-carboxamide
CID 70180298
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]hexanamide
CID 57340104
(3-amino-1H-indol-2-yl)methanol
CID 133058888

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1H-indol-3-yl)methanol?
The IUPAC name of (2-benzyl-1H-indol-3-yl)methanol (CID 129187349) is (2-benzyl-1H-indol-3-yl)methanol.
What is the SMILES notation for (2-benzyl-1H-indol-3-yl)methanol?
The canonical SMILES for (2-benzyl-1H-indol-3-yl)methanol is OCc1c(Cc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (2-benzyl-1H-indol-3-yl)methanol?
The InChIKey is HWOIKRQGBOTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-11-14-13-8-4-5-9-15(13)17-16(14)10-12-6-2-1-3-7-12/h1-9,17-18H,10-11H2.
What are the key properties of (2-benzyl-1H-indol-3-yl)methanol?
(2-benzyl-1H-indol-3-yl)methanol has a molecular weight of 237.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1H-indol-3-yl)methanol is sourced from PubChem (CID 129187349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).