(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol

C13H9BrClFO — CID 61100202

IUPAC(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyLKEXYSCSQWKTON-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol (PubChem CID 61100202) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
PubChem CID61100202
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H
InChIKeyLKEXYSCSQWKTON-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

(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(5-bromo-2-chlorophenyl)-(2,4,6-trifluorophenyl)methanol
CID 61087673
[(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105284036
(5-bromo-2-chlorophenyl)-(1H-pyrrol-3-yl)methanol
CID 63747683
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397
(5-bromo-2-chlorophenyl)-pyrimidin-5-ylmethanol
CID 115781626
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(5-bromo-2-chlorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836655
(2,5-dibromophenyl)-(3,4-dichlorophenyl)methanol
CID 63426086
(4-bromophenyl)-(4-fluoro-2-iodophenyl)methanol
CID 114029441

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol (CID 61100202) is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol?
The InChIKey is LKEXYSCSQWKTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13,17H.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol?
(5-bromo-2-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 (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 61100202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).