ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate

C24H20F2O3 — CID 138973703

IUPACethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C24H20F2O3/c1-2-29-24(28)22-21(17-8-13-20(26)14-9-17)15-10-18(23(22)27)5-3-4-16-6-11-19(25)12-7-16/h3-4,6-15,27H,2,5H2,1H3/b4-3+
InChIKeyWTLHYDODMCOEKZ-ONEGZZNKSA-N
MW394.42 g/mol
LogP5.77
Rot. Bonds6

About ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate

ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate (PubChem CID 138973703) has the molecular formula C24H20F2O3 and a molecular weight of 394.42 g/mol. Its IUPAC name is ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate.

Molecular Properties

Compound Nameethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
PubChem CID138973703
Molecular FormulaC24H20F2O3
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Nameethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C24H20F2O3/c1-2-29-24(28)22-21(17-8-13-20(26)14-9-17)15-10-18(23(22)27)5-3-4-16-6-11-19(25)12-7-16/h3-4,6-15,27H,2,5H2,1H3/b4-3+
InChIKeyWTLHYDODMCOEKZ-ONEGZZNKSA-N
XLogP5.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The IUPAC name of ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate (CID 138973703) is ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate.
What is the SMILES notation for ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The canonical SMILES for ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate is CCOC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O.
What is the InChIKey of ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The InChIKey is WTLHYDODMCOEKZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C24H20F2O3/c1-2-29-24(28)22-21(17-8-13-20(26)14-9-17)15-10-18(23(22)27)5-3-4-16-6-11-19(25)12-7-16/h3-4,6-15,27H,2,5H2,1H3/b4-3+.
What are the key properties of ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate has a molecular weight of 394.42 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate is sourced from PubChem (CID 138973703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).