1,2-bis(3-bromophenyl)ethane-1,2-diol

C14H12Br2O2 — CID 11003220

IUPAC1,2-bis(3-bromophenyl)ethane-1,2-diol
SMILESOC(c1cccc(Br)c1)C(O)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2O2/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,13-14,17-18H
InChIKeyBHGPOOCSISPUDX-UHFFFAOYSA-N
MW372.06 g/mol
LogP3.98
Rot. Bonds3

About 1,2-bis(3-bromophenyl)ethane-1,2-diol

1,2-bis(3-bromophenyl)ethane-1,2-diol (PubChem CID 11003220) has the molecular formula C14H12Br2O2 and a molecular weight of 372.06 g/mol. Its IUPAC name is 1,2-bis(3-bromophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-bis(3-bromophenyl)ethane-1,2-diol
PubChem CID11003220
Molecular FormulaC14H12Br2O2
Molecular Weight372.06 g/mol
Exact Mass369.92
IUPAC Name1,2-bis(3-bromophenyl)ethane-1,2-diol
SMILESOC(c1cccc(Br)c1)C(O)c1cccc(Br)c1
InChIInChI=1S/C14H12Br2O2/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,13-14,17-18H
InChIKeyBHGPOOCSISPUDX-UHFFFAOYSA-N
XLogP3.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-bromophenyl)ethane-1,2-diol?
The IUPAC name of 1,2-bis(3-bromophenyl)ethane-1,2-diol (CID 11003220) is 1,2-bis(3-bromophenyl)ethane-1,2-diol.
What is the SMILES notation for 1,2-bis(3-bromophenyl)ethane-1,2-diol?
The canonical SMILES for 1,2-bis(3-bromophenyl)ethane-1,2-diol is OC(c1cccc(Br)c1)C(O)c1cccc(Br)c1.
What is the InChIKey of 1,2-bis(3-bromophenyl)ethane-1,2-diol?
The InChIKey is BHGPOOCSISPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2O2/c15-11-5-1-3-9(7-11)13(17)14(18)10-4-2-6-12(16)8-10/h1-8,13-14,17-18H.
What are the key properties of 1,2-bis(3-bromophenyl)ethane-1,2-diol?
1,2-bis(3-bromophenyl)ethane-1,2-diol has a molecular weight of 372.06 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-bromophenyl)ethane-1,2-diol is sourced from PubChem (CID 11003220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).