[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol

C15H14F2O — CID 172876855

IUPAC[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(-c2ccc(F)c(F)c2)cc(C)c1CO
InChIInChI=1S/C15H14F2O/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-14(16)15(17)7-11/h3-7,18H,8H2,1-2H3
InChIKeyVXYOFBJLDJWQML-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.74
Rot. Bonds2

About [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol

[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol (PubChem CID 172876855) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
PubChem CID172876855
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(-c2ccc(F)c(F)c2)cc(C)c1CO
InChIInChI=1S/C15H14F2O/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-14(16)15(17)7-11/h3-7,18H,8H2,1-2H3
InChIKeyVXYOFBJLDJWQML-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(3-chloro-4-fluorophenyl)-2,6-dimethylphenyl]methanol
CID 172876857
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
[2,6-difluoro-3-(4-methylphenyl)phenyl]methanol
CID 175668235
ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
4-(3,4-difluorophenyl)-2-methylfuran
CID 69480889
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]phenol
CID 175346756
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
3-bromo-5-(4-fluoro-3-methylphenyl)phenol
CID 53221777

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol?
The IUPAC name of [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol (CID 172876855) is [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol.
What is the SMILES notation for [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol?
The canonical SMILES for [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol is Cc1cc(-c2ccc(F)c(F)c2)cc(C)c1CO.
What is the InChIKey of [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol?
The InChIKey is VXYOFBJLDJWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-9-5-12(6-10(2)13(9)8-18)11-3-4-14(16)15(17)7-11/h3-7,18H,8H2,1-2H3.
What are the key properties of [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol?
[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol has a molecular weight of 248.27 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenyl)-2,6-dimethylphenyl]methanol is sourced from PubChem (CID 172876855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).