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

C15H14BrFO — CID 107985786

IUPAC(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cccc(C)c2Br)c1
InChIInChI=1S/C15H14BrFO/c1-9-6-11(8-12(17)7-9)15(18)13-5-3-4-10(2)14(13)16/h3-8,15,18H,1-2H3
InChIKeyNBJPDZXAHFMKLG-UHFFFAOYSA-N
MW309.18 g/mol
LogP4.29
Rot. Bonds2

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

(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 107985786) has the molecular formula C15H14BrFO and a molecular weight of 309.18 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID107985786
Molecular FormulaC15H14BrFO
Molecular Weight309.18 g/mol
Exact Mass308.02
IUPAC Name(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cccc(C)c2Br)c1
InChIInChI=1S/C15H14BrFO/c1-9-6-11(8-12(17)7-9)15(18)13-5-3-4-10(2)14(13)16/h3-8,15,18H,1-2H3
InChIKeyNBJPDZXAHFMKLG-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-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanol
CID 107983313
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(2-bromo-3-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 107982155
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol (CID 107985786) is (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2cccc(C)c2Br)c1.
What is the InChIKey of (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is NBJPDZXAHFMKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFO/c1-9-6-11(8-12(17)7-9)15(18)13-5-3-4-10(2)14(13)16/h3-8,15,18H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol?
(2-bromo-3-methylphenyl)-(3-fluoro-5-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)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 107985786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).