1-(5-chloro-1H-indol-3-yl)butan-1-ol

C12H14ClNO — CID 118499287

IUPAC1-(5-chloro-1H-indol-3-yl)butan-1-ol
SMILESCCCC(O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClNO/c1-2-3-12(15)10-7-14-11-5-4-8(13)6-9(10)11/h4-7,12,14-15H,2-3H2,1H3
InChIKeyNATUMMHKYGSBRQ-UHFFFAOYSA-N
MW223.70 g/mol
LogP3.65
Rot. Bonds3

About 1-(5-chloro-1H-indol-3-yl)butan-1-ol

1-(5-chloro-1H-indol-3-yl)butan-1-ol (PubChem CID 118499287) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)butan-1-ol
PubChem CID118499287
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name1-(5-chloro-1H-indol-3-yl)butan-1-ol
SMILESCCCC(O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClNO/c1-2-3-12(15)10-7-14-11-5-4-8(13)6-9(10)11/h4-7,12,14-15H,2-3H2,1H3
InChIKeyNATUMMHKYGSBRQ-UHFFFAOYSA-N
XLogP3.65
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
5-chloro-3-[(2S)-1-nitroundecan-2-yl]-1H-indole
CID 139252688
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)butan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)butan-1-ol (CID 118499287) is 1-(5-chloro-1H-indol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)butan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)butan-1-ol is CCCC(O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)butan-1-ol?
The InChIKey is NATUMMHKYGSBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c1-2-3-12(15)10-7-14-11-5-4-8(13)6-9(10)11/h4-7,12,14-15H,2-3H2,1H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)butan-1-ol?
1-(5-chloro-1H-indol-3-yl)butan-1-ol has a molecular weight of 223.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)butan-1-ol is sourced from PubChem (CID 118499287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).