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

C15H13Cl3O — CID 106859115

IUPAC1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15,19H,8H2,1H3
InChIKeyPPISHTHLXHJATG-UHFFFAOYSA-N
MW315.63 g/mol
LogP5.23
Rot. Bonds3

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

1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 106859115) has the molecular formula C15H13Cl3O and a molecular weight of 315.63 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID106859115
Molecular FormulaC15H13Cl3O
Molecular Weight315.63 g/mol
Exact Mass314.00
IUPAC Name1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESCc1ccc(C(O)Cc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl3O/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15,19H,8H2,1H3
InChIKeyPPISHTHLXHJATG-UHFFFAOYSA-N
XLogP5.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.63
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(2,6-dimethylphenyl)ethanol
CID 106859457
1-(2-chloro-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107312550
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 106857196
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(2-chloro-4-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 106859159
1-(2-chloro-4-methylphenyl)but-3-yn-1-ol
CID 106859596
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-(4-bromo-2-methoxyphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 115782457
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
2-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106857068

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol (CID 106859115) is 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol is Cc1ccc(C(O)Cc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is PPISHTHLXHJATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3O/c1-9-5-6-10(14(18)7-9)15(19)8-11-12(16)3-2-4-13(11)17/h2-7,15,19H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol?
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol has a molecular weight of 315.63 g/mol, XLogP of 5.23, 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-dichlorophenyl)ethanol is sourced from PubChem (CID 106859115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).