5-(2,4-dimethylphenyl)-2-fluorophenol

C14H13FO — CID 53219279

IUPAC5-(2,4-dimethylphenyl)-2-fluorophenol
SMILESCc1ccc(-c2ccc(F)c(O)c2)c(C)c1
InChIInChI=1S/C14H13FO/c1-9-3-5-12(10(2)7-9)11-4-6-13(15)14(16)8-11/h3-8,16H,1-2H3
InChIKeyTVSAJTYYYWADRV-UHFFFAOYSA-N
MW216.25 g/mol
LogP3.82
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-2-fluorophenol

5-(2,4-dimethylphenyl)-2-fluorophenol (PubChem CID 53219279) has the molecular formula C14H13FO and a molecular weight of 216.25 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-2-fluorophenol.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-2-fluorophenol
PubChem CID53219279
Molecular FormulaC14H13FO
Molecular Weight216.25 g/mol
Exact Mass216.10
IUPAC Name5-(2,4-dimethylphenyl)-2-fluorophenol
SMILESCc1ccc(-c2ccc(F)c(O)c2)c(C)c1
InChIInChI=1S/C14H13FO/c1-9-3-5-12(10(2)7-9)11-4-6-13(15)14(16)8-11/h3-8,16H,1-2H3
InChIKeyTVSAJTYYYWADRV-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-2-fluorophenol?
The IUPAC name of 5-(2,4-dimethylphenyl)-2-fluorophenol (CID 53219279) is 5-(2,4-dimethylphenyl)-2-fluorophenol.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-2-fluorophenol?
The canonical SMILES for 5-(2,4-dimethylphenyl)-2-fluorophenol is Cc1ccc(-c2ccc(F)c(O)c2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-2-fluorophenol?
The InChIKey is TVSAJTYYYWADRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO/c1-9-3-5-12(10(2)7-9)11-4-6-13(15)14(16)8-11/h3-8,16H,1-2H3.
What are the key properties of 5-(2,4-dimethylphenyl)-2-fluorophenol?
5-(2,4-dimethylphenyl)-2-fluorophenol has a molecular weight of 216.25 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-2-fluorophenol is sourced from PubChem (CID 53219279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).