[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

C23H17FO4 — CID 2397099

IUPAC[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO4/c1-27-21-5-3-2-4-16(21)10-15-22(25)28-20-13-8-18(9-14-20)23(26)17-6-11-19(24)12-7-17/h2-15H,1H3/b15-10+
InChIKeyNRTQRNXRECPMHY-XNTDXEJSSA-N
MW376.38 g/mol
LogP4.68
Rot. Bonds6

About [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate

[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 2397099) has the molecular formula C23H17FO4 and a molecular weight of 376.38 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
PubChem CID2397099
Molecular FormulaC23H17FO4
Molecular Weight376.38 g/mol
Exact Mass376.11
IUPAC Name[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H17FO4/c1-27-21-5-3-2-4-16(21)10-15-22(25)28-20-13-8-18(9-14-20)23(26)17-6-11-19(24)12-7-17/h2-15H,1H3/b15-10+
InChIKeyNRTQRNXRECPMHY-XNTDXEJSSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 8764873
[2-(4-fluorophenyl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444614
[2-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 4878019
[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]phenyl] prop-2-enoate
CID 102475466
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811
pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
CID 4990417
(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 734263
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate (CID 2397099) is [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1/C=C/C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is NRTQRNXRECPMHY-XNTDXEJSSA-N. The full InChI is InChI=1S/C23H17FO4/c1-27-21-5-3-2-4-16(21)10-15-22(25)28-20-13-8-18(9-14-20)23(26)17-6-11-19(24)12-7-17/h2-15H,1H3/b15-10+.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate?
[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 376.38 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2397099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).