ethane;3-fluoro-2,5-dimethylphenol

C10H15FO — CID 142108626

IUPACethane;3-fluoro-2,5-dimethylphenol
SMILESCC.Cc1cc(O)c(C)c(F)c1
InChIInChI=1S/C8H9FO.C2H6/c1-5-3-7(9)6(2)8(10)4-5;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeySJQCNDKHPXUKFD-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.17
Rot. Bonds

About ethane;3-fluoro-2,5-dimethylphenol

ethane;3-fluoro-2,5-dimethylphenol (PubChem CID 142108626) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is ethane;3-fluoro-2,5-dimethylphenol.

Molecular Properties

Compound Nameethane;3-fluoro-2,5-dimethylphenol
PubChem CID142108626
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Nameethane;3-fluoro-2,5-dimethylphenol
SMILESCC.Cc1cc(O)c(C)c(F)c1
InChIInChI=1S/C8H9FO.C2H6/c1-5-3-7(9)6(2)8(10)4-5;1-2/h3-4,10H,1-2H3;1-2H3
InChIKeySJQCNDKHPXUKFD-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-2-methylphenol
CID 20580699
CID 144806033
CID 144806033
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
ethane;3,4,5-trifluoro-2-methylphenol
CID 155691590
3-fluoro-2-methyl-5-(trifluoromethyl)phenol
CID 164891329
ethane;3-hydroxy-2,5-dimethylbenzoic acid
CID 142823767
1,3-difluoro-2,5-dimethylbenzene;1,3-difluoro-2,4,5-trimethylbenzene
CID 153368730
1-(bromomethyl)-3-fluoro-2,5-dimethylbenzene
CID 131074450
3-(bromomethyl)-2,5-dimethylphenol
CID 130953581
3-fluoro-2,5-dimethylaniline
CID 55289526
1-bromo-3-fluoro-2,5-dimethylbenzene
CID 20799393
3-fluoro-2-methyl-5-(methylaminomethyl)phenol
CID 84765552

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-2,5-dimethylphenol?
The IUPAC name of ethane;3-fluoro-2,5-dimethylphenol (CID 142108626) is ethane;3-fluoro-2,5-dimethylphenol.
What is the SMILES notation for ethane;3-fluoro-2,5-dimethylphenol?
The canonical SMILES for ethane;3-fluoro-2,5-dimethylphenol is CC.Cc1cc(O)c(C)c(F)c1.
What is the InChIKey of ethane;3-fluoro-2,5-dimethylphenol?
The InChIKey is SJQCNDKHPXUKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.C2H6/c1-5-3-7(9)6(2)8(10)4-5;1-2/h3-4,10H,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-2,5-dimethylphenol?
ethane;3-fluoro-2,5-dimethylphenol has a molecular weight of 170.23 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-2,5-dimethylphenol is sourced from PubChem (CID 142108626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).