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

C17H19ClO — CID 106859457

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2c(C)cccc2C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9,17,19H,10H2,1-3H3
InChIKeyOTYBYONHKHOZOY-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.54
Rot. Bonds3

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

1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol (PubChem CID 106859457) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
PubChem CID106859457
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
SMILESCc1ccc(C(O)Cc2c(C)cccc2C)c(Cl)c1
InChIInChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9,17,19H,10H2,1-3H3
InChIKeyOTYBYONHKHOZOY-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
2-(2,6-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 106791042
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
2-(2-chloro-4-methylphenyl)-1-(2,3-dimethylphenyl)ethanol
CID 106866259
1-(4-chloro-2,5-difluorophenyl)-2-(2,6-dimethylphenyl)ethanol
CID 115828495
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1-(3-chlorothiophen-2-yl)-2-(2,6-dimethylphenyl)ethanol
CID 115828463
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
1-(2-chloro-4-methylphenyl)but-3-yn-1-ol
CID 106859596

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol (CID 106859457) is 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol is Cc1ccc(C(O)Cc2c(C)cccc2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol?
The InChIKey is OTYBYONHKHOZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-11-7-8-14(16(18)9-11)17(19)10-15-12(2)5-4-6-13(15)3/h4-9,17,19H,10H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol?
1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol has a molecular weight of 274.79 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol is sourced from PubChem (CID 106859457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).