(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol

C15H14F2O — CID 61088298

IUPAC(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C15H14F2O/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-13(16)14(17)8-11/h3-8,15,18H,1-2H3
InChIKeyRACGPECPMIBJRB-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.66
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol

(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol (PubChem CID 61088298) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
PubChem CID61088298
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name(3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol
SMILESCc1cccc(C(O)c2ccc(F)c(F)c2)c1C
InChIInChI=1S/C15H14F2O/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-13(16)14(17)8-11/h3-8,15,18H,1-2H3
InChIKeyRACGPECPMIBJRB-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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Related Compounds

(3,4-difluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477927
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
(3,4-difluorophenyl)-(2-fluorophenyl)methanol
CID 61088873
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2-bromo-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 114024297
(3,4-difluorophenyl)-(3-methylphenyl)methanol
CID 2758296
(3-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanol
CID 64712600
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
(3-bromo-4-fluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 114023972
(4-chlorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477274
(4-chloro-3-fluorophenyl)-(2-methylphenyl)methanol
CID 63895727

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol (CID 61088298) is (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol is Cc1cccc(C(O)c2ccc(F)c(F)c2)c1C.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol?
The InChIKey is RACGPECPMIBJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-13(16)14(17)8-11/h3-8,15,18H,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol?
(3,4-difluorophenyl)-(2,3-dimethylphenyl)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 (3,4-difluorophenyl)-(2,3-dimethylphenyl)methanol is sourced from PubChem (CID 61088298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).