2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol

C15H15FO — CID 173291900

IUPAC2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol
SMILESCc1cccc(-c2c(C)ccc(F)c2O)c1C
InChIInChI=1S/C15H15FO/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13(16)15(14)17/h4-8,17H,1-3H3
InChIKeyRTWUDGOPIGHEPF-UHFFFAOYSA-N
MW230.28 g/mol
LogP4.12
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol

2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol (PubChem CID 173291900) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol
PubChem CID173291900
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol
SMILESCc1cccc(-c2c(C)ccc(F)c2O)c1C
InChIInChI=1S/C15H15FO/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13(16)15(14)17/h4-8,17H,1-3H3
InChIKeyRTWUDGOPIGHEPF-UHFFFAOYSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol?
The IUPAC name of 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol (CID 173291900) is 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol?
The canonical SMILES for 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol is Cc1cccc(-c2c(C)ccc(F)c2O)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol?
The InChIKey is RTWUDGOPIGHEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO/c1-9-5-4-6-12(11(9)3)14-10(2)7-8-13(16)15(14)17/h4-8,17H,1-3H3.
What are the key properties of 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol?
2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol has a molecular weight of 230.28 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-6-fluoro-3-methylphenol is sourced from PubChem (CID 173291900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).