(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol

C15H21NO2 — CID 46914834

IUPAC(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
SMILESCCC[C@@H](CCO)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H21NO2/c1-3-4-11(7-8-17)14-10-16-15-6-5-12(18-2)9-13(14)15/h5-6,9-11,16-17H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeySKFDPDVICQNEFL-NSHDSACASA-N
MW247.34 g/mol
LogP3.44
Rot. Bonds6

About (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol

(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol (PubChem CID 46914834) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol.

Molecular Properties

Compound Name(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
PubChem CID46914834
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol
SMILESCCC[C@@H](CCO)c1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H21NO2/c1-3-4-11(7-8-17)14-10-16-15-6-5-12(18-2)9-13(14)15/h5-6,9-11,16-17H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeySKFDPDVICQNEFL-NSHDSACASA-N
XLogP3.44
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
(3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropan-1-ol
CID 171246174
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol?
The IUPAC name of (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol (CID 46914834) is (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol.
What is the SMILES notation for (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol?
The canonical SMILES for (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol is CCC[C@@H](CCO)c1c[nH]c2ccc(OC)cc12.
What is the InChIKey of (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol?
The InChIKey is SKFDPDVICQNEFL-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-4-11(7-8-17)14-10-16-15-6-5-12(18-2)9-13(14)15/h5-6,9-11,16-17H,3-4,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol?
(3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-methoxy-1H-indol-3-yl)hexan-1-ol is sourced from PubChem (CID 46914834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).