(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol

C15H14BrFO2 — CID 62511360

IUPAC(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-9-3-5-13(17)11(7-9)15(18)10-4-6-14(19-2)12(16)8-10/h3-8,15,18H,1-2H3
InChIKeyLMEUMRLVULRXER-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds3

About (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol

(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol (PubChem CID 62511360) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
PubChem CID62511360
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C15H14BrFO2/c1-9-3-5-13(17)11(7-9)15(18)10-4-6-14(19-2)12(16)8-10/h3-8,15,18H,1-2H3
InChIKeyLMEUMRLVULRXER-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

(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 134514503
(2-fluoro-5-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 62509628
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 105399539
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 62660225
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(5-chloro-2-fluorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61081454
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol (CID 62511360) is (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol is COc1ccc(C(O)c2cc(C)ccc2F)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol?
The InChIKey is LMEUMRLVULRXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-3-5-13(17)11(7-9)15(18)10-4-6-14(19-2)12(16)8-10/h3-8,15,18H,1-2H3.
What are the key properties of (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol?
(3-bromo-4-methoxyphenyl)-(2-fluoro-5-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 (3-bromo-4-methoxyphenyl)-(2-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 62511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).