(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate

C15H13FO3 — CID 7290825

IUPAC(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H13FO3/c1-10-2-7-13(14(17)8-10)15(18)19-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyMIFGIEZDJGVNOE-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.20
Rot. Bonds3

About (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate

(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate (PubChem CID 7290825) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
PubChem CID7290825
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccc(F)cc2)c(O)c1
InChIInChI=1S/C15H13FO3/c1-10-2-7-13(14(17)8-10)15(18)19-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyMIFGIEZDJGVNOE-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 977864
[4-(4-fluorophenyl)-4-oxobutyl] 2-hydroxy-4-methylbenzoate
CID 7568336
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-hydroxy-4-methylbenzoate
CID 4222789
[2-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 3545417
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
ethyl 4-(4-fluorophenyl)-2-hydroxybenzoate
CID 125477835
amino 2-hydroxy-4-methylbenzoate
CID 174368722
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104783988
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-hydroxy-4-methylbenzoate
CID 31047257

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The IUPAC name of (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate (CID 7290825) is (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The canonical SMILES for (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccc(F)cc2)c(O)c1.
What is the InChIKey of (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The InChIKey is MIFGIEZDJGVNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-10-2-7-13(14(17)8-10)15(18)19-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate?
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate has a molecular weight of 260.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 7290825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).