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

C23H18F2O3 — CID 138972632

IUPACmethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C23H18F2O3/c1-28-23(27)21-20(16-7-12-19(25)13-8-16)14-9-17(22(21)26)4-2-3-15-5-10-18(24)11-6-15/h2-3,5-14,26H,4H2,1H3/b3-2+
InChIKeyLRNYJTMXOAYHBA-NSCUHMNNSA-N
MW380.39 g/mol
LogP5.38
Rot. Bonds5

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

methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate (PubChem CID 138972632) has the molecular formula C23H18F2O3 and a molecular weight of 380.39 g/mol. Its IUPAC name is methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
PubChem CID138972632
Molecular FormulaC23H18F2O3
Molecular Weight380.39 g/mol
Exact Mass380.12
IUPAC Namemethyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate
SMILESCOC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O
InChIInChI=1S/C23H18F2O3/c1-28-23(27)21-20(16-7-12-19(25)13-8-16)14-9-17(22(21)26)4-2-3-15-5-10-18(24)11-6-15/h2-3,5-14,26H,4H2,1H3/b3-2+
InChIKeyLRNYJTMXOAYHBA-NSCUHMNNSA-N
XLogP5.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The IUPAC name of methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate (CID 138972632) is methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate.
What is the SMILES notation for methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The canonical SMILES for methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate is COC(=O)c1c(-c2ccc(F)cc2)ccc(C/C=C/c2ccc(F)cc2)c1O.
What is the InChIKey of methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
The InChIKey is LRNYJTMXOAYHBA-NSCUHMNNSA-N. The full InChI is InChI=1S/C23H18F2O3/c1-28-23(27)21-20(16-7-12-19(25)13-8-16)14-9-17(22(21)26)4-2-3-15-5-10-18(24)11-6-15/h2-3,5-14,26H,4H2,1H3/b3-2+.
What are the key properties of methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate?
methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate has a molecular weight of 380.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-fluorophenyl)-3-[(E)-3-(4-fluorophenyl)prop-2-enyl]-2-hydroxybenzoate is sourced from PubChem (CID 138972632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).