4-(1H-indol-3-yl)-2-methylhexan-1-ol

C15H21NO — CID 174277465

IUPAC4-(1H-indol-3-yl)-2-methylhexan-1-ol
SMILESCCC(CC(C)CO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO/c1-3-12(8-11(2)10-17)14-9-16-15-7-5-4-6-13(14)15/h4-7,9,11-12,16-17H,3,8,10H2,1-2H3
InChIKeyHCLHYZZDFHZSKH-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.68
Rot. Bonds5

About 4-(1H-indol-3-yl)-2-methylhexan-1-ol

4-(1H-indol-3-yl)-2-methylhexan-1-ol (PubChem CID 174277465) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-2-methylhexan-1-ol.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-2-methylhexan-1-ol
PubChem CID174277465
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-(1H-indol-3-yl)-2-methylhexan-1-ol
SMILESCCC(CC(C)CO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO/c1-3-12(8-11(2)10-17)14-9-16-15-7-5-4-6-13(14)15/h4-7,9,11-12,16-17H,3,8,10H2,1-2H3
InChIKeyHCLHYZZDFHZSKH-UHFFFAOYSA-N
XLogP3.68
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-(1H-indol-3-yl)-2-methylhexan-1-ol 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

5-(1H-indol-3-yl)heptan-1-ol
CID 141488119
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
CID 178029923
CID 178029923
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
3-propan-2-yl-1H-indole
CID 12534824
(1R)-1-(1H-indol-3-yl)-2-methylbutan-1-amine
CID 171197987
3-(1-methylsulfonylpropyl)-1H-indole
CID 162689474
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
2-(1H-indol-3-yl)propan-1-amine
CID 6452095

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-2-methylhexan-1-ol?
The IUPAC name of 4-(1H-indol-3-yl)-2-methylhexan-1-ol (CID 174277465) is 4-(1H-indol-3-yl)-2-methylhexan-1-ol.
What is the SMILES notation for 4-(1H-indol-3-yl)-2-methylhexan-1-ol?
The canonical SMILES for 4-(1H-indol-3-yl)-2-methylhexan-1-ol is CCC(CC(C)CO)c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-2-methylhexan-1-ol?
The InChIKey is HCLHYZZDFHZSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-12(8-11(2)10-17)14-9-16-15-7-5-4-6-13(14)15/h4-7,9,11-12,16-17H,3,8,10H2,1-2H3.
What are the key properties of 4-(1H-indol-3-yl)-2-methylhexan-1-ol?
4-(1H-indol-3-yl)-2-methylhexan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-2-methylhexan-1-ol is sourced from PubChem (CID 174277465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).