1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol

C14H10Cl4O — CID 63411090

IUPAC1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4O/c15-8-4-5-13(18)10(6-8)14(19)7-9-11(16)2-1-3-12(9)17/h1-6,14,19H,7H2
InChIKeyRSSPQEJXSXXWAT-UHFFFAOYSA-N
MW336.05 g/mol
LogP5.58
Rot. Bonds3

About 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol

1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol (PubChem CID 63411090) has the molecular formula C14H10Cl4O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
PubChem CID63411090
Molecular FormulaC14H10Cl4O
Molecular Weight336.05 g/mol
Exact Mass333.95
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
SMILESOC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl4O/c15-8-4-5-13(18)10(6-8)14(19)7-9-11(16)2-1-3-12(9)17/h1-6,14,19H,7H2
InChIKeyRSSPQEJXSXXWAT-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-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 82891487
2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 62964279
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
1-(2,5-dichlorophenyl)-2-(2-fluorophenyl)ethanol
CID 61082200
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
1-(2-chloro-4-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 106859115
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62388239
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(5-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-N-ethylethanamine
CID 114886290

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol (CID 63411090) is 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol is OC(Cc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol?
The InChIKey is RSSPQEJXSXXWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl4O/c15-8-4-5-13(18)10(6-8)14(19)7-9-11(16)2-1-3-12(9)17/h1-6,14,19H,7H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol?
1-(2,5-dichlorophenyl)-2-(2,6-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-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol is sourced from PubChem (CID 63411090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).