[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol

C13H16ClNO — CID 174864639

IUPAC[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol
SMILESCC(C)Cn1cc(Cl)c2cc(CO)ccc21
InChIInChI=1S/C13H16ClNO/c1-9(2)6-15-7-12(14)11-5-10(8-16)3-4-13(11)15/h3-5,7,9,16H,6,8H2,1-2H3
InChIKeyZGTCZLXFUNNGRZ-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.44
Rot. Bonds3

About [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol

[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol (PubChem CID 174864639) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol.

Molecular Properties

Compound Name[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol
PubChem CID174864639
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol
SMILESCC(C)Cn1cc(Cl)c2cc(CO)ccc21
InChIInChI=1S/C13H16ClNO/c1-9(2)6-15-7-12(14)11-5-10(8-16)3-4-13(11)15/h3-5,7,9,16H,6,8H2,1-2H3
InChIKeyZGTCZLXFUNNGRZ-UHFFFAOYSA-N
XLogP3.44
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-chloro-1-(2-methylpropyl)indol-5-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

Frequently Asked Questions

What is the IUPAC name of [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol?
The IUPAC name of [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol (CID 174864639) is [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol.
What is the SMILES notation for [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol?
The canonical SMILES for [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol is CC(C)Cn1cc(Cl)c2cc(CO)ccc21.
What is the InChIKey of [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol?
The InChIKey is ZGTCZLXFUNNGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(2)6-15-7-12(14)11-5-10(8-16)3-4-13(11)15/h3-5,7,9,16H,6,8H2,1-2H3.
What are the key properties of [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol?
[3-chloro-1-(2-methylpropyl)indol-5-yl]methanol has a molecular weight of 237.73 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-1-(2-methylpropyl)indol-5-yl]methanol is sourced from PubChem (CID 174864639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).