2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol

C17H18ClNO — CID 106866608

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
SMILESCc1ccc(CC(O)c2cccc3c2NCC3)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-11-5-6-13(15(18)9-11)10-16(20)14-4-2-3-12-7-8-19-17(12)14/h2-6,9,16,19-20H,7-8,10H2,1H3
InChIKeyGOXWYNOVFOIJKR-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.89
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol

2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol (PubChem CID 106866608) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
PubChem CID106866608
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
SMILESCc1ccc(CC(O)c2cccc3c2NCC3)c(Cl)c1
InChIInChI=1S/C17H18ClNO/c1-11-5-6-13(15(18)9-11)10-16(20)14-4-2-3-12-7-8-19-17(12)14/h2-6,9,16,19-20H,7-8,10H2,1H3
InChIKeyGOXWYNOVFOIJKR-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chloro-2-fluorophenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol
CID 103047776
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
2-(2-chloro-4-methylphenyl)-1-quinoxalin-5-ylethanol
CID 106868052
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
1-(2-amino-5-bromophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867541
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol (CID 106866608) is 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol is Cc1ccc(CC(O)c2cccc3c2NCC3)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol?
The InChIKey is GOXWYNOVFOIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-11-5-6-13(15(18)9-11)10-16(20)14-4-2-3-12-7-8-19-17(12)14/h2-6,9,16,19-20H,7-8,10H2,1H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol has a molecular weight of 287.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,3-dihydro-1H-indol-7-yl)ethanol is sourced from PubChem (CID 106866608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).