(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol

C15H14F2O — CID 65296831

IUPAC(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
SMILESCc1cc(C(O)c2cccc(F)c2)cc(C)c1F
InChIInChI=1S/C15H14F2O/c1-9-6-12(7-10(2)14(9)17)15(18)11-4-3-5-13(16)8-11/h3-8,15,18H,1-2H3
InChIKeyJDQYDWNCBJLTTQ-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.66
Rot. Bonds2

About (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol

(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol (PubChem CID 65296831) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
PubChem CID65296831
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
SMILESCc1cc(C(O)c2cccc(F)c2)cc(C)c1F
InChIInChI=1S/C15H14F2O/c1-9-6-12(7-10(2)14(9)17)15(18)11-4-3-5-13(16)8-11/h3-8,15,18H,1-2H3
InChIKeyJDQYDWNCBJLTTQ-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol (CID 65296831) is (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol is Cc1cc(C(O)c2cccc(F)c2)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol?
The InChIKey is JDQYDWNCBJLTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-9-6-12(7-10(2)14(9)17)15(18)11-4-3-5-13(16)8-11/h3-8,15,18H,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol?
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol has a molecular weight of 248.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol is sourced from PubChem (CID 65296831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).