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

C15H14BrFO — CID 114024273

IUPAC(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrFO/c1-9-6-7-11(17)8-13(9)15(18)12-5-3-4-10(2)14(12)16/h3-8,15,18H,1-2H3
InChIKeyPPWDSASQKPIVGZ-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.29
Rot. Bonds2

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

(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol (PubChem CID 114024273) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
PubChem CID114024273
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrFO/c1-9-6-7-11(17)8-13(9)15(18)12-5-3-4-10(2)14(12)16/h3-8,15,18H,1-2H3
InChIKeyPPWDSASQKPIVGZ-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786
(5-fluoro-2-methylphenyl)-naphthalen-1-ylmethanol
CID 62791504
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 107985811
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 107983313
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol (CID 114024273) is (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1cccc(C)c1Br.
What is the InChIKey of (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is PPWDSASQKPIVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-9-6-7-11(17)8-13(9)15(18)12-5-3-4-10(2)14(12)16/h3-8,15,18H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol?
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 309.18 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 114024273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).