2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol

C18H21ClO — CID 106866233

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClO/c1-11-5-6-15(16(19)9-11)10-17(20)18-13(3)7-12(2)8-14(18)4/h5-9,17,20H,10H2,1-4H3
InChIKeyGQGDMXRCKPDYIO-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.85
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol

2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 106866233) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID106866233
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)Cc2ccc(C)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClO/c1-11-5-6-15(16(19)9-11)10-17(20)18-13(3)7-12(2)8-14(18)4/h5-9,17,20H,10H2,1-4H3
InChIKeyGQGDMXRCKPDYIO-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
2-(2-chloro-4-methylphenyl)-1-(3,4-dichlorophenyl)ethanol
CID 106866180
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
2-(2-chloro-4-methylphenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 106867292
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
1-(2-aminophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106867344
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
CID 106867561
2-(4-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 107883521
2-(2-chloro-4-methylphenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 106868019
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol (CID 106866233) is 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)Cc2ccc(C)cc2Cl)c(C)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is GQGDMXRCKPDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-11-5-6-15(16(19)9-11)10-17(20)18-13(3)7-12(2)8-14(18)4/h5-9,17,20H,10H2,1-4H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol?
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 288.82 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 106866233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).