(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol

C13H9BrClFO — CID 115566397

IUPAC(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClFO/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyCIHIQJNIWWJHSI-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol

(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol (PubChem CID 115566397) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
PubChem CID115566397
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H9BrClFO/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyCIHIQJNIWWJHSI-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
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(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol (CID 115566397) is (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol?
The InChIKey is CIHIQJNIWWJHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-11-7-9(3-6-12(11)15)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H.
What are the key properties of (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol?
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol has a molecular weight of 315.57 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 115566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).