(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol

C15H13BrF2O — CID 107985811

IUPAC(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cccc(C)c2Br)c1F
InChIInChI=1S/C15H13BrF2O/c1-8-4-3-5-10(13(8)16)15(19)12-11(17)7-6-9(2)14(12)18/h3-7,15,19H,1-2H3
InChIKeyLGHZSKGQUYXILK-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.43
Rot. Bonds2

About (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol

(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (PubChem CID 107985811) has the molecular formula C15H13BrF2O and a molecular weight of 327.17 g/mol. Its IUPAC name is (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
PubChem CID107985811
Molecular FormulaC15H13BrF2O
Molecular Weight327.17 g/mol
Exact Mass326.01
IUPAC Name(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
SMILESCc1ccc(F)c(C(O)c2cccc(C)c2Br)c1F
InChIInChI=1S/C15H13BrF2O/c1-8-4-3-5-10(13(8)16)15(19)12-11(17)7-6-9(2)14(12)18/h3-7,15,19H,1-2H3
InChIKeyLGHZSKGQUYXILK-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(2-bromo-3-methylphenyl)-(2,5-difluorophenyl)methanol
CID 107983315
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(2-bromo-3-methylphenyl)-(4-chloro-2-fluorophenyl)methanol
CID 107985803
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(2-bromo-3-methylphenyl)-phenylmethanol
CID 107983305
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(2,6-difluoro-3-methylphenyl)-(4-methylthiophen-3-yl)methanol
CID 82823282
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The IUPAC name of (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol (CID 107985811) is (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The canonical SMILES for (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol is Cc1ccc(F)c(C(O)c2cccc(C)c2Br)c1F.
What is the InChIKey of (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
The InChIKey is LGHZSKGQUYXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2O/c1-8-4-3-5-10(13(8)16)15(19)12-11(17)7-6-9(2)14(12)18/h3-7,15,19H,1-2H3.
What are the key properties of (2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol?
(2-bromo-3-methylphenyl)-(2,6-difluoro-3-methylphenyl)methanol has a molecular weight of 327.17 g/mol, XLogP of 4.43, 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)-(2,6-difluoro-3-methylphenyl)methanol is sourced from PubChem (CID 107985811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).