(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol

C14H11BrClFO — CID 105397627

IUPAC(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESCc1ccc(C(O)c2cc(F)ccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFO/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(17)4-5-13(11)16/h2-7,14,18H,1H3
InChIKeyBKNUNTRHISSRPB-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.63
Rot. Bonds2

About (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol

(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol (PubChem CID 105397627) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
PubChem CID105397627
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol
SMILESCc1ccc(C(O)c2cc(F)ccc2Cl)cc1Br
InChIInChI=1S/C14H11BrClFO/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(17)4-5-13(11)16/h2-7,14,18H,1H3
InChIKeyBKNUNTRHISSRPB-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanol
CID 81476067
(4-chloro-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 115793761
(3-bromo-4-chlorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 82768889
N-[(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methyl]ethanamine
CID 105397062
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(3-bromophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105393805
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(3-bromo-4-chlorophenyl)-(4-fluorophenyl)methanol
CID 115566397

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The IUPAC name of (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol (CID 105397627) is (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol is Cc1ccc(C(O)c2cc(F)ccc2Cl)cc1Br.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol?
The InChIKey is BKNUNTRHISSRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-8-2-3-9(6-12(8)15)14(18)11-7-10(17)4-5-13(11)16/h2-7,14,18H,1H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol?
(3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol has a molecular weight of 329.60 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2-chloro-5-fluorophenyl)methanol is sourced from PubChem (CID 105397627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).