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

C15H21NO — CID 81444731

IUPAC1-(1H-indol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-11,15-17H,2-6H2,1H3
InChIKeyGWOYQFJNQYNYKC-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.17
Rot. Bonds6

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

1-(1H-indol-5-yl)heptan-1-ol (PubChem CID 81444731) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(1H-indol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-5-yl)heptan-1-ol
PubChem CID81444731
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(1H-indol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-11,15-17H,2-6H2,1H3
InChIKeyGWOYQFJNQYNYKC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
CID 96590440
6-(1-hydroxyoctyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61089199
N-octan-2-yl-1H-indol-5-amine
CID 43130007
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
(1R,2S)-1-amino-1-(1H-indol-6-yl)hexan-2-ol;hydrochloride
CID 171262623
5-butan-2-yl-1H-indole;molecular hydrogen
CID 144711250
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
4-(1-hydroxytridecyl)phenol
CID 57120972
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(3-bromo-4-methylphenyl)octan-1-ol
CID 115783206
3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-5-yl)heptan-1-ol?
The IUPAC name of 1-(1H-indol-5-yl)heptan-1-ol (CID 81444731) is 1-(1H-indol-5-yl)heptan-1-ol.
What is the SMILES notation for 1-(1H-indol-5-yl)heptan-1-ol?
The canonical SMILES for 1-(1H-indol-5-yl)heptan-1-ol is CCCCCCC(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1-(1H-indol-5-yl)heptan-1-ol?
The InChIKey is GWOYQFJNQYNYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-3-4-5-6-15(17)13-7-8-14-12(11-13)9-10-16-14/h7-11,15-17H,2-6H2,1H3.
What are the key properties of 1-(1H-indol-5-yl)heptan-1-ol?
1-(1H-indol-5-yl)heptan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-5-yl)heptan-1-ol is sourced from PubChem (CID 81444731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).