1-(1-butyl-6-chloroindol-3-yl)ethanol

C14H18ClNO — CID 83945241

IUPAC1-(1-butyl-6-chloroindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-3-4-7-16-9-13(10(2)17)12-6-5-11(15)8-14(12)16/h5-6,8-10,17H,3-4,7H2,1-2H3
InChIKeyXCUMXFRWKUWRNE-UHFFFAOYSA-N
MW251.76 g/mol
LogP4.15
Rot. Bonds4

About 1-(1-butyl-6-chloroindol-3-yl)ethanol

1-(1-butyl-6-chloroindol-3-yl)ethanol (PubChem CID 83945241) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-(1-butyl-6-chloroindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-butyl-6-chloroindol-3-yl)ethanol
PubChem CID83945241
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-(1-butyl-6-chloroindol-3-yl)ethanol
SMILESCCCCn1cc(C(C)O)c2ccc(Cl)cc21
InChIInChI=1S/C14H18ClNO/c1-3-4-7-16-9-13(10(2)17)12-6-5-11(15)8-14(12)16/h5-6,8-10,17H,3-4,7H2,1-2H3
InChIKeyXCUMXFRWKUWRNE-UHFFFAOYSA-N
XLogP4.15
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-butyl-5,6-diethoxyindol-3-yl)ethanol
CID 83944727
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
CID 83944411
3-(3-butyl-6-chloroindol-1-yl)propan-1-amine
CID 83948692
1-butyl-6-chloroindole
CID 67583801
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381
(1S)-1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533695
(1S)-1-(5-chloro-2-decoxyphenyl)ethanol
CID 78944253
1-(5-chloro-2-heptoxyphenyl)ethanol
CID 63533676
(1S)-1-(5-chloro-2-hexoxyphenyl)ethanol
CID 78931549
1-(1-butyl-4,7-dimethylindol-3-yl)ethanol
CID 83944914
ethyl 2-(6-chloro-1-methylindol-3-yl)-2-hydroxyacetate
CID 11708776
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-6-chloroindol-3-yl)ethanol?
The IUPAC name of 1-(1-butyl-6-chloroindol-3-yl)ethanol (CID 83945241) is 1-(1-butyl-6-chloroindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-butyl-6-chloroindol-3-yl)ethanol?
The canonical SMILES for 1-(1-butyl-6-chloroindol-3-yl)ethanol is CCCCn1cc(C(C)O)c2ccc(Cl)cc21.
What is the InChIKey of 1-(1-butyl-6-chloroindol-3-yl)ethanol?
The InChIKey is XCUMXFRWKUWRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-3-4-7-16-9-13(10(2)17)12-6-5-11(15)8-14(12)16/h5-6,8-10,17H,3-4,7H2,1-2H3.
What are the key properties of 1-(1-butyl-6-chloroindol-3-yl)ethanol?
1-(1-butyl-6-chloroindol-3-yl)ethanol has a molecular weight of 251.76 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-6-chloroindol-3-yl)ethanol is sourced from PubChem (CID 83945241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).