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

C14H12Cl2O2 — CID 4064336

IUPAC1,2-bis(2-chlorophenyl)ethane-1,2-diol
SMILESOC(c1ccccc1Cl)C(O)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H
InChIKeyPRPZPQDFVUBHDN-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.76
Rot. Bonds3

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

1,2-bis(2-chlorophenyl)ethane-1,2-diol (PubChem CID 4064336) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 1,2-bis(2-chlorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(2-chlorophenyl)ethane-1,2-diol
PubChem CID4064336
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name1,2-bis(2-chlorophenyl)ethane-1,2-diol
SMILESOC(c1ccccc1Cl)C(O)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H
InChIKeyPRPZPQDFVUBHDN-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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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-chlorophenyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(2-chlorophenyl)ethane-1,2-diol (CID 4064336) is 1,2-bis(2-chlorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(2-chlorophenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(2-chlorophenyl)ethane-1,2-diol is OC(c1ccccc1Cl)C(O)c1ccccc1Cl.
What is the InChIKey of 1,2-bis(2-chlorophenyl)ethane-1,2-diol?
The InChIKey is PRPZPQDFVUBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8,13-14,17-18H.
What are the key properties of 1,2-bis(2-chlorophenyl)ethane-1,2-diol?
1,2-bis(2-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(2-chlorophenyl)ethane-1,2-diol is sourced from PubChem (CID 4064336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).