1,2-bis(4-chlorophenyl)ethane-1,2-diol

C14H12Cl2O2 — CID 588012

IUPAC1,2-bis(4-chlorophenyl)ethane-1,2-diol
SMILESOC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,17-18H
InChIKeyAEEMNDIKABIBHP-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.76
Rot. Bonds3

About 1,2-bis(4-chlorophenyl)ethane-1,2-diol

1,2-bis(4-chlorophenyl)ethane-1,2-diol (PubChem CID 588012) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(4-chlorophenyl)ethane-1,2-diol
PubChem CID588012
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name1,2-bis(4-chlorophenyl)ethane-1,2-diol
SMILESOC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,17-18H
InChIKeyAEEMNDIKABIBHP-UHFFFAOYSA-N
XLogP3.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2-dichloro-1-(4-chlorophenyl)ethanol
CID 129405029
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
(4-chlorophenyl)-fluoromethanol
CID 174952192
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
1-(4-chlorophenyl)pentane-1,2-diol
CID 103454768
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
(1R,2R)-1-(4-chlorophenyl)-2-methylbut-3-en-1-ol
CID 14870787
1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550108
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(4-chlorophenyl)ethane-1,2-diol (CID 588012) is 1,2-bis(4-chlorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(4-chlorophenyl)ethane-1,2-diol is OC(c1ccc(Cl)cc1)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis(4-chlorophenyl)ethane-1,2-diol?
The InChIKey is AEEMNDIKABIBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14,17-18H.
What are the key properties of 1,2-bis(4-chlorophenyl)ethane-1,2-diol?
1,2-bis(4-chlorophenyl)ethane-1,2-diol has a molecular weight of 283.15 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-chlorophenyl)ethane-1,2-diol is sourced from PubChem (CID 588012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).