(2,6-difluoro-4-methylphenyl)methanol

C8H8F2O — CID 18550098

IUPAC(2,6-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C8H8F2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3
InChIKeyZBGPVZIUOBZFOK-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.77
Rot. Bonds1

About (2,6-difluoro-4-methylphenyl)methanol

(2,6-difluoro-4-methylphenyl)methanol (PubChem CID 18550098) has the molecular formula C8H8F2O and a molecular weight of 158.15 g/mol. Its IUPAC name is (2,6-difluoro-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-4-methylphenyl)methanol
PubChem CID18550098
Molecular FormulaC8H8F2O
Molecular Weight158.15 g/mol
Exact Mass158.05
IUPAC Name(2,6-difluoro-4-methylphenyl)methanol
SMILESCc1cc(F)c(CO)c(F)c1
InChIInChI=1S/C8H8F2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3
InChIKeyZBGPVZIUOBZFOK-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-4-methylphenyl)methanol?
The IUPAC name of (2,6-difluoro-4-methylphenyl)methanol (CID 18550098) is (2,6-difluoro-4-methylphenyl)methanol.
What is the SMILES notation for (2,6-difluoro-4-methylphenyl)methanol?
The canonical SMILES for (2,6-difluoro-4-methylphenyl)methanol is Cc1cc(F)c(CO)c(F)c1.
What is the InChIKey of (2,6-difluoro-4-methylphenyl)methanol?
The InChIKey is ZBGPVZIUOBZFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O/c1-5-2-7(9)6(4-11)8(10)3-5/h2-3,11H,4H2,1H3.
What are the key properties of (2,6-difluoro-4-methylphenyl)methanol?
(2,6-difluoro-4-methylphenyl)methanol has a molecular weight of 158.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-4-methylphenyl)methanol is sourced from PubChem (CID 18550098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).