2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol

C14H11Cl3O — CID 63519306

IUPAC2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7,13,18H,8H2
InChIKeyZTSDGNVIAAPQQP-UHFFFAOYSA-N
MW301.60 g/mol
LogP4.92
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol

2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol (PubChem CID 63519306) has the molecular formula C14H11Cl3O and a molecular weight of 301.60 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
PubChem CID63519306
Molecular FormulaC14H11Cl3O
Molecular Weight301.60 g/mol
Exact Mass299.99
IUPAC Name2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7,13,18H,8H2
InChIKeyZTSDGNVIAAPQQP-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016942
1-(2,6-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150451
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
(1S)-1-(2,6-dichlorophenyl)propane-1,3-diol
CID 90422655
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
2-(5-chlorothiophen-2-yl)-1-(2,6-dichlorophenyl)ethanol
CID 65150596
1-(2,6-dichlorophenyl)-2-(2-methylphenyl)ethanol
CID 63016225
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
1-(2-chloro-6-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114851983
2-(4-chlorophenyl)-1-(3,5-dichlorophenyl)ethanol
CID 63519476
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol (CID 63519306) is 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol?
The InChIKey is ZTSDGNVIAAPQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3O/c15-10-6-4-9(5-7-10)8-13(18)14-11(16)2-1-3-12(14)17/h1-7,13,18H,8H2.
What are the key properties of 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol?
2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol has a molecular weight of 301.60 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 63519306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).