[1-(4-methylpentyl)indol-3-yl]methanol

C15H21NO — CID 83158381

IUPAC[1-(4-methylpentyl)indol-3-yl]methanol
SMILESCC(C)CCCn1cc(CO)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)6-5-9-16-10-13(11-17)14-7-3-4-8-15(14)16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3
InChIKeyQFCHXPVUHDBNBC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.57
Rot. Bonds5

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

[1-(4-methylpentyl)indol-3-yl]methanol (PubChem CID 83158381) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-(4-methylpentyl)indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylpentyl)indol-3-yl]methanol
PubChem CID83158381
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-(4-methylpentyl)indol-3-yl]methanol
SMILESCC(C)CCCn1cc(CO)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)6-5-9-16-10-13(11-17)14-7-3-4-8-15(14)16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3
InChIKeyQFCHXPVUHDBNBC-UHFFFAOYSA-N
XLogP3.57
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-methylpentyl)indol-1-yl]butanoic acid
CID 57168654
[1-(2-propan-2-ylsulfonylethyl)indol-3-yl]methanol
CID 106717189
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
CID 66398666
9-(4-methylpentyl)carbazole
CID 153073309
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]indol-3-yl]methanol
CID 104565359
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
N-[2-[1-[2-[dimethyl(oxido)azaniumyl]ethyl]indol-3-yl]ethyl]-3-methyl-N-(3-methylbutyl)butan-1-amine oxide
CID 53493866
2-[3-(hydroxymethyl)indol-1-yl]acetic acid
CID 15089421
N-[2-(3-bromoindol-1-yl)ethyl]-4-methylpentan-1-amine
CID 63506657
N-[1-(1-decylindol-3-yl)propan-2-yl]acetamide
CID 142212830
2-(4-methylpentanoylamino)-3-(1-propylindol-3-yl)propanoic acid
CID 139679248

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylpentyl)indol-3-yl]methanol?
The IUPAC name of [1-(4-methylpentyl)indol-3-yl]methanol (CID 83158381) is [1-(4-methylpentyl)indol-3-yl]methanol.
What is the SMILES notation for [1-(4-methylpentyl)indol-3-yl]methanol?
The canonical SMILES for [1-(4-methylpentyl)indol-3-yl]methanol is CC(C)CCCn1cc(CO)c2ccccc21.
What is the InChIKey of [1-(4-methylpentyl)indol-3-yl]methanol?
The InChIKey is QFCHXPVUHDBNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)6-5-9-16-10-13(11-17)14-7-3-4-8-15(14)16/h3-4,7-8,10,12,17H,5-6,9,11H2,1-2H3.
What are the key properties of [1-(4-methylpentyl)indol-3-yl]methanol?
[1-(4-methylpentyl)indol-3-yl]methanol has a molecular weight of 231.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylpentyl)indol-3-yl]methanol is sourced from PubChem (CID 83158381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).