4-fluoro-2,5-dimethylphenol

C8H9FO — CID 22627623

IUPAC4-fluoro-2,5-dimethylphenol
SMILESCc1cc(F)c(C)cc1O
InChIInChI=1S/C8H9FO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChIKeySZAAQEQSQLOKQW-UHFFFAOYSA-N
MW140.16 g/mol
LogP2.15
Rot. Bonds

About 4-fluoro-2,5-dimethylphenol

4-fluoro-2,5-dimethylphenol (PubChem CID 22627623) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 4-fluoro-2,5-dimethylphenol.

Molecular Properties

Compound Name4-fluoro-2,5-dimethylphenol
PubChem CID22627623
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name4-fluoro-2,5-dimethylphenol
SMILESCc1cc(F)c(C)cc1O
InChIInChI=1S/C8H9FO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3
InChIKeySZAAQEQSQLOKQW-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Thymol
CID 6989
O-Cresol
CID 335
M-Cresol
CID 342
2,4-Dimethylphenol
CID 7771
2,5-Dimethylphenol
CID 7267
Carvacrol
CID 10364
2-Ethylphenol
CID 6997
3,5-Dimethylphenol
CID 7948
2,3-Dimethylphenol
CID 10687
2,6-Dimethylphenol
CID 11335
3-Ethylphenol
CID 12101
Nonylphenol
CID 67296

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,5-dimethylphenol?
The IUPAC name of 4-fluoro-2,5-dimethylphenol (CID 22627623) is 4-fluoro-2,5-dimethylphenol.
What is the SMILES notation for 4-fluoro-2,5-dimethylphenol?
The canonical SMILES for 4-fluoro-2,5-dimethylphenol is Cc1cc(F)c(C)cc1O.
What is the InChIKey of 4-fluoro-2,5-dimethylphenol?
The InChIKey is SZAAQEQSQLOKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-5-4-8(10)6(2)3-7(5)9/h3-4,10H,1-2H3.
What are the key properties of 4-fluoro-2,5-dimethylphenol?
4-fluoro-2,5-dimethylphenol has a molecular weight of 140.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,5-dimethylphenol is sourced from PubChem (CID 22627623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).