bis(4-bromophenyl)methanol

C13H10Br2O — CID 520429

IUPACbis(4-bromophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKeyPDQRNCTWDZPBGQ-UHFFFAOYSA-N
MW342.03 g/mol
LogP4.29
Rot. Bonds2

About bis(4-bromophenyl)methanol

bis(4-bromophenyl)methanol (PubChem CID 520429) has the molecular formula C13H10Br2O and a molecular weight of 342.03 g/mol. Its IUPAC name is bis(4-bromophenyl)methanol.

Molecular Properties

Compound Namebis(4-bromophenyl)methanol
PubChem CID520429
Molecular FormulaC13H10Br2O
Molecular Weight342.03 g/mol
Exact Mass339.91
IUPAC Namebis(4-bromophenyl)methanol
SMILESOC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H
InChIKeyPDQRNCTWDZPBGQ-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.03
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromophenyl)methanol?
The IUPAC name of bis(4-bromophenyl)methanol (CID 520429) is bis(4-bromophenyl)methanol.
What is the SMILES notation for bis(4-bromophenyl)methanol?
The canonical SMILES for bis(4-bromophenyl)methanol is OC(c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of bis(4-bromophenyl)methanol?
The InChIKey is PDQRNCTWDZPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H.
What are the key properties of bis(4-bromophenyl)methanol?
bis(4-bromophenyl)methanol has a molecular weight of 342.03 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)methanol is sourced from PubChem (CID 520429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).