(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol

C14H11F3O — CID 81477927

IUPAC(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C14H11F3O/c1-8-3-2-4-10(13(8)17)14(18)9-5-6-11(15)12(16)7-9/h2-7,14,18H,1H3
InChIKeyLKZJFHKRZVGJPO-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.49
Rot. Bonds2

About (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol

(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol (PubChem CID 81477927) has the molecular formula C14H11F3O and a molecular weight of 252.23 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
PubChem CID81477927
Molecular FormulaC14H11F3O
Molecular Weight252.23 g/mol
Exact Mass252.08
IUPAC Name(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C14H11F3O/c1-8-3-2-4-10(13(8)17)14(18)9-5-6-11(15)12(16)7-9/h2-7,14,18H,1H3
InChIKeyLKZJFHKRZVGJPO-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
CID 61088298
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol (CID 81477927) is (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol is Cc1cccc(C(O)c2ccc(F)c(F)c2)c1F.
What is the InChIKey of (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
The InChIKey is LKZJFHKRZVGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-8-3-2-4-10(13(8)17)14(18)9-5-6-11(15)12(16)7-9/h2-7,14,18H,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol?
(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol has a molecular weight of 252.23 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol is sourced from PubChem (CID 81477927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).