(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol

C14H11BrClFO — CID 115823118

IUPAC(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C14H11BrClFO/c1-8-4-10(6-11(17)5-8)14(18)9-2-3-12(15)13(16)7-9/h2-7,14,18H,1H3
InChIKeyLSLUQBNDRWYRIZ-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.63
Rot. Bonds2

About (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol

(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 115823118) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID115823118
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2ccc(Br)c(Cl)c2)c1
InChIInChI=1S/C14H11BrClFO/c1-8-4-10(6-11(17)5-8)14(18)9-2-3-12(15)13(16)7-9/h2-7,14,18H,1H3
InChIKeyLSLUQBNDRWYRIZ-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-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 103216999
(4-bromo-3-chlorophenyl)-(3-chloro-4-methylphenyl)methanol
CID 107562230
(4-bromo-3-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884138
(4-bromo-3-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 81293215
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(2,6-dichlorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 79690334
(4-bromo-3-chlorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 115796759
(4-bromo-3-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 81294910
(R)-(3,5-dimethylphenyl)-(4-fluorophenyl)methanol
CID 7154269
(4-bromo-3-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanol
CID 81294913

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol (CID 115823118) is (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2ccc(Br)c(Cl)c2)c1.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is LSLUQBNDRWYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-8-4-10(6-11(17)5-8)14(18)9-2-3-12(15)13(16)7-9/h2-7,14,18H,1H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol?
(4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)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 (4-bromo-3-chlorophenyl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 115823118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).