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

C15H14BrFO2 — CID 134514503

IUPAC(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(C)cc2Br)ccc1F
InChIInChI=1S/C15H14BrFO2/c1-9-3-5-11(12(16)7-9)15(18)10-4-6-13(17)14(8-10)19-2/h3-8,15,18H,1-2H3
InChIKeyBZIFARXLKGUIJN-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds3

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

(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol (PubChem CID 134514503) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
PubChem CID134514503
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cc(C(O)c2ccc(C)cc2Br)ccc1F
InChIInChI=1S/C15H14BrFO2/c1-9-3-5-11(12(16)7-9)15(18)10-4-6-13(17)14(8-10)19-2/h3-8,15,18H,1-2H3
InChIKeyBZIFARXLKGUIJN-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-fluoro-5-methylphenyl)methanol
CID 62511360
(3-bromo-4-fluorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284804
(4-fluoro-3-methoxyphenyl)-(3-methylphenyl)methanol
CID 114977925
(2-bromo-5-methylphenyl)-(3,4-dimethoxyphenyl)methanol
CID 81111618
(2-bromo-4-fluorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61101513
(3-bromo-4-fluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 107955586
(4-fluoro-3-methoxyphenyl)-(4-methoxyphenyl)methanol
CID 81285020
(2,5-dichlorothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284207
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(2-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanol
CID 114518704
(3,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 81284055

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol (CID 134514503) is (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol is COc1cc(C(O)c2ccc(C)cc2Br)ccc1F.
What is the InChIKey of (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
The InChIKey is BZIFARXLKGUIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-3-5-11(12(16)7-9)15(18)10-4-6-13(17)14(8-10)19-2/h3-8,15,18H,1-2H3.
What are the key properties of (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol?
(2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)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 (2-bromo-4-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 134514503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).