1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol

C14H10Cl4O — CID 55187922

IUPAC1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7,13,19H,6H2
InChIKeyJBGLHWOYKXRDDP-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.58
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol

1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol (PubChem CID 55187922) has the molecular formula C14H10Cl4O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
PubChem CID55187922
Molecular FormulaC14H10Cl4O
Molecular Weight336.05 g/mol
Exact Mass333.95
IUPAC Name1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H10Cl4O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7,13,19H,6H2
InChIKeyJBGLHWOYKXRDDP-UHFFFAOYSA-N
XLogP5.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.05
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148612
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
2-(2,4-dichlorophenyl)-1-quinoxalin-5-ylethanol
CID 105086789
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
2-(4-chloro-3-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 107883512
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
1-(3-aminophenyl)-2-(2,4-dichlorophenyl)ethanol
CID 106695721
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol (CID 55187922) is 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)cc1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol?
The InChIKey is JBGLHWOYKXRDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O/c15-9-5-4-8(12(17)7-9)6-13(19)10-2-1-3-11(16)14(10)18/h1-5,7,13,19H,6H2.
What are the key properties of 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol?
1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol has a molecular weight of 336.05 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-2-(2,4-dichlorophenyl)ethanol is sourced from PubChem (CID 55187922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).