ethane;2-fluoro-6-methylphenol

C11H19FO — CID 162729094

IUPACethane;2-fluoro-6-methylphenol
SMILESCC.CC.Cc1cccc(F)c1O
InChIInChI=1S/C7H7FO.2C2H6/c1-5-3-2-4-6(8)7(5)9;2*1-2/h2-4,9H,1H3;2*1-2H3
InChIKeyQZJQOUOPNOVPDC-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.89
Rot. Bonds

About ethane;2-fluoro-6-methylphenol

ethane;2-fluoro-6-methylphenol (PubChem CID 162729094) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is ethane;2-fluoro-6-methylphenol.

Molecular Properties

Compound Nameethane;2-fluoro-6-methylphenol
PubChem CID162729094
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Nameethane;2-fluoro-6-methylphenol
SMILESCC.CC.Cc1cccc(F)c1O
InChIInChI=1S/C7H7FO.2C2H6/c1-5-3-2-4-6(8)7(5)9;2*1-2/h2-4,9H,1H3;2*1-2H3
InChIKeyQZJQOUOPNOVPDC-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-(2-methylphenyl)phenol
CID 171109405
bis(2,6-difluorophenol);zirconium
CID 161409047
2-(2-fluorophenoxy)-6-methylphenol
CID 20513456
3-methylbenzene-1,2-diol
CID 135381405
butane;2,6-dimethylphenol;ethane
CID 143018459
2,6-difluoro-3-methylphenol;ethane
CID 143572521
1,3-difluoro-2-methylbenzene;ethane;1,2-xylene
CID 142353819
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
ethane;1-fluoro-2-methylbenzene;methane
CID 143320188
acetylene;ethane;1-fluoro-2-methylbenzene
CID 145259299
2,6-difluorophenol;2-fluorophenol
CID 160898350
sodium;3-methylbenzene-1,2-diol;chloride
CID 174915760

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-6-methylphenol?
The IUPAC name of ethane;2-fluoro-6-methylphenol (CID 162729094) is ethane;2-fluoro-6-methylphenol.
What is the SMILES notation for ethane;2-fluoro-6-methylphenol?
The canonical SMILES for ethane;2-fluoro-6-methylphenol is CC.CC.Cc1cccc(F)c1O.
What is the InChIKey of ethane;2-fluoro-6-methylphenol?
The InChIKey is QZJQOUOPNOVPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.2C2H6/c1-5-3-2-4-6(8)7(5)9;2*1-2/h2-4,9H,1H3;2*1-2H3.
What are the key properties of ethane;2-fluoro-6-methylphenol?
ethane;2-fluoro-6-methylphenol has a molecular weight of 186.27 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-6-methylphenol is sourced from PubChem (CID 162729094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).