ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate

C15H12F2O3 — CID 23078331

IUPACethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C15H12F2O3/c1-2-20-15(19)12-7-9(3-6-14(12)18)11-5-4-10(16)8-13(11)17/h3-8,18H,2H2,1H3
InChIKeyYHZSWAZWTXVQLV-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.51
Rot. Bonds3

About ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate

ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate (PubChem CID 23078331) has the molecular formula C15H12F2O3 and a molecular weight of 278.25 g/mol. Its IUPAC name is ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
PubChem CID23078331
Molecular FormulaC15H12F2O3
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Nameethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C15H12F2O3/c1-2-20-15(19)12-7-9(3-6-14(12)18)11-5-4-10(16)8-13(11)17/h3-8,18H,2H2,1H3
InChIKeyYHZSWAZWTXVQLV-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The IUPAC name of ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate (CID 23078331) is ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate.
What is the SMILES notation for ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The canonical SMILES for ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate is CCOC(=O)c1cc(-c2ccc(F)cc2F)ccc1O.
What is the InChIKey of ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
The InChIKey is YHZSWAZWTXVQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3/c1-2-20-15(19)12-7-9(3-6-14(12)18)11-5-4-10(16)8-13(11)17/h3-8,18H,2H2,1H3.
What are the key properties of ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate?
ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate has a molecular weight of 278.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,4-difluorophenyl)-2-hydroxybenzoate is sourced from PubChem (CID 23078331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).