1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol

C15H20ClNO — CID 82268661

IUPAC1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
SMILESCc1cccc2c(C(C)O)c(Cl)n(CC(C)C)c12
InChIInChI=1S/C15H20ClNO/c1-9(2)8-17-14-10(3)6-5-7-12(14)13(11(4)18)15(17)16/h5-7,9,11,18H,8H2,1-4H3
InChIKeyKLHPCIXHXTZUKV-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.31
Rot. Bonds3

About 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol

1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol (PubChem CID 82268661) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
PubChem CID82268661
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
SMILESCc1cccc2c(C(C)O)c(Cl)n(CC(C)C)c12
InChIInChI=1S/C15H20ClNO/c1-9(2)8-17-14-10(3)6-5-7-12(14)13(11(4)18)15(17)16/h5-7,9,11,18H,8H2,1-4H3
InChIKeyKLHPCIXHXTZUKV-UHFFFAOYSA-N
XLogP4.31
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]methanol
CID 82268659
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
CID 82269259
1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
CID 82268978
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397
2-chloro-1,3,7-trimethylindole
CID 117127854
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
4-methyl-2-(2-methylpropyl)isoindol-1-ol
CID 91473058
3,7-dimethyl-1-propylindole-2-carboxylic acid
CID 83969429
[2-chloro-1-[(4-fluorophenyl)methyl]-7-methylindol-3-yl]methanol
CID 82268703
2-chloro-1-(2-methoxyethyl)-7-methylindole-3-carboxylic acid
CID 82268674
1-[2-chloro-1-(2-methoxyethyl)-7-methylindol-3-yl]ethanone
CID 82268678
1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
CID 82268473

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol?
The IUPAC name of 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol (CID 82268661) is 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol.
What is the SMILES notation for 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol?
The canonical SMILES for 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol is Cc1cccc2c(C(C)O)c(Cl)n(CC(C)C)c12.
What is the InChIKey of 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol?
The InChIKey is KLHPCIXHXTZUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-9(2)8-17-14-10(3)6-5-7-12(14)13(11(4)18)15(17)16/h5-7,9,11,18H,8H2,1-4H3.
What are the key properties of 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol?
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol has a molecular weight of 265.78 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol is sourced from PubChem (CID 82268661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).