5-(1H-indol-3-yl)heptan-1-ol

C15H21NO — CID 141488119

IUPAC5-(1H-indol-3-yl)heptan-1-ol
SMILESCCC(CCCCO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO/c1-2-12(7-5-6-10-17)14-11-16-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3
InChIKeyDJXBJRBCEXEDHR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.82
Rot. Bonds6

About 5-(1H-indol-3-yl)heptan-1-ol

5-(1H-indol-3-yl)heptan-1-ol (PubChem CID 141488119) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-(1H-indol-3-yl)heptan-1-ol.

Molecular Properties

Compound Name5-(1H-indol-3-yl)heptan-1-ol
PubChem CID141488119
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-(1H-indol-3-yl)heptan-1-ol
SMILESCCC(CCCCO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H21NO/c1-2-12(7-5-6-10-17)14-11-16-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3
InChIKeyDJXBJRBCEXEDHR-UHFFFAOYSA-N
XLogP3.82
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
chloro 3-(1H-indol-3-yl)octanoate
CID 175312008
CID 178029923
CID 178029923
3-[(2R)-1-nitrohexan-2-yl]-1H-indole
CID 134964800
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
6-ethyl-5-(1H-indol-3-yl)octan-1-amine
CID 173349471
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
N,N-diethyl-1-(1H-indol-3-yl)nonan-1-amine
CID 90025073
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-3-yl)heptan-1-ol?
The IUPAC name of 5-(1H-indol-3-yl)heptan-1-ol (CID 141488119) is 5-(1H-indol-3-yl)heptan-1-ol.
What is the SMILES notation for 5-(1H-indol-3-yl)heptan-1-ol?
The canonical SMILES for 5-(1H-indol-3-yl)heptan-1-ol is CCC(CCCCO)c1c[nH]c2ccccc12.
What is the InChIKey of 5-(1H-indol-3-yl)heptan-1-ol?
The InChIKey is DJXBJRBCEXEDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-12(7-5-6-10-17)14-11-16-15-9-4-3-8-13(14)15/h3-4,8-9,11-12,16-17H,2,5-7,10H2,1H3.
What are the key properties of 5-(1H-indol-3-yl)heptan-1-ol?
5-(1H-indol-3-yl)heptan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-3-yl)heptan-1-ol is sourced from PubChem (CID 141488119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).