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

C14H12Cl2O2 — CID 71341574

IUPAC1,1-bis(2-chlorophenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2/c15-12-7-3-1-5-10(12)14(18,9-17)11-6-2-4-8-13(11)16/h1-8,17-18H,9H2
InChIKeyKJBZDVLZYFQAAN-UHFFFAOYSA-N
MW283.15 g/mol
LogP3.22
Rot. Bonds3

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

1,1-bis(2-chlorophenyl)ethane-1,2-diol (PubChem CID 71341574) has the molecular formula C14H12Cl2O2 and a molecular weight of 283.15 g/mol. Its IUPAC name is 1,1-bis(2-chlorophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,1-bis(2-chlorophenyl)ethane-1,2-diol
PubChem CID71341574
Molecular FormulaC14H12Cl2O2
Molecular Weight283.15 g/mol
Exact Mass282.02
IUPAC Name1,1-bis(2-chlorophenyl)ethane-1,2-diol
SMILESOCC(O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl2O2/c15-12-7-3-1-5-10(12)14(18,9-17)11-6-2-4-8-13(11)16/h1-8,17-18H,9H2
InChIKeyKJBZDVLZYFQAAN-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-chlorophenyl)ethane-1,2-diol?
The IUPAC name of 1,1-bis(2-chlorophenyl)ethane-1,2-diol (CID 71341574) is 1,1-bis(2-chlorophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,1-bis(2-chlorophenyl)ethane-1,2-diol?
The canonical SMILES for 1,1-bis(2-chlorophenyl)ethane-1,2-diol is OCC(O)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1,1-bis(2-chlorophenyl)ethane-1,2-diol?
The InChIKey is KJBZDVLZYFQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O2/c15-12-7-3-1-5-10(12)14(18,9-17)11-6-2-4-8-13(11)16/h1-8,17-18H,9H2.
What are the key properties of 1,1-bis(2-chlorophenyl)ethane-1,2-diol?
1,1-bis(2-chlorophenyl)ethane-1,2-diol has a molecular weight of 283.15 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-chlorophenyl)ethane-1,2-diol is sourced from PubChem (CID 71341574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).