(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol

C15H14BrFO2 — CID 65432204

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccccc1F
InChIInChI=1S/C15H14BrFO2/c1-9-7-14(19-2)11(8-12(9)16)15(18)10-5-3-4-6-13(10)17/h3-8,15,18H,1-2H3
InChIKeyODGCYPYYSDHLSE-UHFFFAOYSA-N
MW325.18 g/mol
LogP3.99
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol

(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol (PubChem CID 65432204) has the molecular formula C15H14BrFO2 and a molecular weight of 325.18 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
PubChem CID65432204
Molecular FormulaC15H14BrFO2
Molecular Weight325.18 g/mol
Exact Mass324.02
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccccc1F
InChIInChI=1S/C15H14BrFO2/c1-9-7-14(19-2)11(8-12(9)16)15(18)10-5-3-4-6-13(10)17/h3-8,15,18H,1-2H3
InChIKeyODGCYPYYSDHLSE-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

(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-ethoxyphenyl)methanol
CID 103396097
(5-bromo-4-fluoro-2-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 103396120
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(5-bromo-4-fluoro-2-methoxyphenyl)-(5-bromo-2-fluorophenyl)methanol
CID 103395971

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol (CID 65432204) is (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol is COc1cc(C)c(Br)cc1C(O)c1ccccc1F.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol?
The InChIKey is ODGCYPYYSDHLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO2/c1-9-7-14(19-2)11(8-12(9)16)15(18)10-5-3-4-6-13(10)17/h3-8,15,18H,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)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 (5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol is sourced from PubChem (CID 65432204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).