(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol

C13H9BrClFO — CID 105393805

IUPAC(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESOC(c1cccc(Br)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-9-3-1-2-8(6-9)13(17)11-7-10(16)4-5-12(11)15/h1-7,13,17H
InChIKeyLFKPJZLGOPYLPJ-UHFFFAOYSA-N
MW315.57 g/mol
LogP4.32
Rot. Bonds2

About (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol

(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol (PubChem CID 105393805) has the molecular formula C13H9BrClFO and a molecular weight of 315.57 g/mol. Its IUPAC name is (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
PubChem CID105393805
Molecular FormulaC13H9BrClFO
Molecular Weight315.57 g/mol
Exact Mass313.95
IUPAC Name(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESOC(c1cccc(Br)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C13H9BrClFO/c14-9-3-1-2-8(6-9)13(17)11-7-10(16)4-5-12(11)15/h1-7,13,17H
InChIKeyLFKPJZLGOPYLPJ-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

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397627
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701
(R)-(3-bromophenyl)-(3-chloro-2-methylphenyl)methanol
CID 97293535
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(4-bromo-5-chloro-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 105399342
(3-bromophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61082620
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
(3-bromophenyl)-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methanol
CID 61080813
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol?
The IUPAC name of (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol (CID 105393805) is (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol is OC(c1cccc(Br)c1)c1cc(F)ccc1Cl.
What is the InChIKey of (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol?
The InChIKey is LFKPJZLGOPYLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClFO/c14-9-3-1-2-8(6-9)13(17)11-7-10(16)4-5-12(11)15/h1-7,13,17H.
What are the key properties of (3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol?
(3-bromophenyl)-(2-chloro-5-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-bromophenyl)-(2-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 105393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).