1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol

C15H20ClNO — CID 82268978

IUPAC1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
SMILESCCCn1c(Cl)c(C(C)O)c2ccc(C)c(C)c21
InChIInChI=1S/C15H20ClNO/c1-5-8-17-14-10(3)9(2)6-7-12(14)13(11(4)18)15(17)16/h6-7,11,18H,5,8H2,1-4H3
InChIKeyOXNNTUKMGCXDIY-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.37
Rot. Bonds3

About 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol

1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol (PubChem CID 82268978) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
PubChem CID82268978
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol
SMILESCCCn1c(Cl)c(C(C)O)c2ccc(C)c(C)c21
InChIInChI=1S/C15H20ClNO/c1-5-8-17-14-10(3)9(2)6-7-12(14)13(11(4)18)15(17)16/h6-7,11,18H,5,8H2,1-4H3
InChIKeyOXNNTUKMGCXDIY-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6,7-dimethyl-1-propylindole-3-carbonitrile
CID 82268977
1-[2-chloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanol
CID 82268661
1-(1-butyl-2-chloro-5-methylindol-3-yl)ethanol
CID 82268473
1-(2-chloro-1-ethyl-7-fluoroindol-3-yl)ethanol
CID 82269259
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
1-(1-butyl-2-chloro-5-propan-2-ylindol-3-yl)ethanol
CID 82268617
2-chloro-7-methyl-1-propylindole-3-carboxylic acid
CID 82268650
1-(2-chloro-1,5-dimethylindol-3-yl)ethanol
CID 82268441
(1S)-1-(2,6-dichloro-3-methylphenyl)ethanol
CID 143190021
2-chloro-7-methyl-1-propylindole-3-carbonitrile
CID 82268652
(1S)-1-(7-chloro-1-propylbenzimidazol-2-yl)ethanol
CID 94958068
1-[2-chloro-1-[(3-methylphenyl)methyl]indol-3-yl]ethanol
CID 82268397

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol?
The IUPAC name of 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol (CID 82268978) is 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol.
What is the SMILES notation for 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol?
The canonical SMILES for 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol is CCCn1c(Cl)c(C(C)O)c2ccc(C)c(C)c21.
What is the InChIKey of 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol?
The InChIKey is OXNNTUKMGCXDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-5-8-17-14-10(3)9(2)6-7-12(14)13(11(4)18)15(17)16/h6-7,11,18H,5,8H2,1-4H3.
What are the key properties of 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol?
1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol has a molecular weight of 265.78 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6,7-dimethyl-1-propylindol-3-yl)ethanol is sourced from PubChem (CID 82268978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).