1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol

C15H20ClNO — CID 82268473

IUPAC1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
SMILESCCCCn1c(Cl)c(C(C)O)c2cc(C)ccc21
InChIInChI=1S/C15H20ClNO/c1-4-5-8-17-13-7-6-10(2)9-12(13)14(11(3)18)15(17)16/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyRNEOUMVGLCNLQZ-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.46
Rot. Bonds4

About 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol

1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol (PubChem CID 82268473) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
PubChem CID82268473
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
SMILESCCCCn1c(Cl)c(C(C)O)c2cc(C)ccc21
InChIInChI=1S/C15H20ClNO/c1-4-5-8-17-13-7-6-10(2)9-12(13)14(11(3)18)15(17)16/h6-7,9,11,18H,4-5,8H2,1-3H3
InChIKeyRNEOUMVGLCNLQZ-UHFFFAOYSA-N
XLogP4.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
CID 82268617
1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
CID 82268441
(1S)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909381
(1R)-1-[9-butyl-6-[(1R)-1-hydroxyethyl]carbazol-3-yl]ethanol
CID 95909380
(1-butyl-2-chloro-6-methylindol-3-yl)methanol
CID 82269650
1-(2-chloro-1-ethyl-5-methoxyindol-3-yl)ethanol
CID 82268873
9-butyl-2,7-dimethylcarbazole
CID 129212268
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397
1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
CID 82268978
1-butyl-2-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83944298
3-(3,6-dimethylcarbazol-9-yl)propan-1-amine
CID 58183726
5,11-didodecyl-2-fluoro-8-methylindolo[3,2-b]carbazole
CID 67991343

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol?
The IUPAC name of 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol (CID 82268473) is 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol.
What is the SMILES notation for 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol?
The canonical SMILES for 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol is CCCCn1c(Cl)c(C(C)O)c2cc(C)ccc21.
What is the InChIKey of 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol?
The InChIKey is RNEOUMVGLCNLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-4-5-8-17-13-7-6-10(2)9-12(13)14(11(3)18)15(17)16/h6-7,9,11,18H,4-5,8H2,1-3H3.
What are the key properties of 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol?
1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol has a molecular weight of 265.78 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol is sourced from PubChem (CID 82268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).