(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol

C15H14BrFO2 — CID 115794081

IUPAC(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc(F)cc1C
InChIInChI=1S/C15H14BrFO2/c1-9-7-11(17)4-6-12(9)15(18)13-5-3-10(16)8-14(13)19-2/h3-8,15,18H,1-2H3
InChIKeyCQOWDHMFDRLBAL-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol

(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol (PubChem CID 115794081) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
PubChem CID115794081
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol
SMILESCOc1cc(Br)ccc1C(O)c1ccc(F)cc1C
InChIInChI=1S/C15H14BrFO2/c1-9-7-11(17)4-6-12(9)15(18)13-5-3-10(16)8-14(13)19-2/h3-8,15,18H,1-2H3
InChIKeyCQOWDHMFDRLBAL-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
(4-bromo-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823095
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(2,4-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61086897

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol (CID 115794081) is (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol is COc1cc(Br)ccc1C(O)c1ccc(F)cc1C.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is CQOWDHMFDRLBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-7-11(17)4-6-12(9)15(18)13-5-3-10(16)8-14(13)19-2/h3-8,15,18H,1-2H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol?
(4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 325.18 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 115794081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).