(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid

C18H15FO3 — CID 14347301

IUPAC(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
SMILESCOc1cccc(/C(=C/C=C/C(=O)O)c2cccc(F)c2)c1
InChIInChI=1S/C18H15FO3/c1-22-16-8-3-6-14(12-16)17(9-4-10-18(20)21)13-5-2-7-15(19)11-13/h2-12H,1H3,(H,20,21)/b10-4+,17-9+
InChIKeyACXUCWLVWVZOLG-IEOJZXEPSA-N
MW298.31 g/mol
LogP3.91
Rot. Bonds5

About (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid

(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid (PubChem CID 14347301) has the molecular formula C18H15FO3 and a molecular weight of 298.31 g/mol. Its IUPAC name is (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
PubChem CID14347301
Molecular FormulaC18H15FO3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
SMILESCOc1cccc(/C(=C/C=C/C(=O)O)c2cccc(F)c2)c1
InChIInChI=1S/C18H15FO3/c1-22-16-8-3-6-14(12-16)17(9-4-10-18(20)21)13-5-2-7-15(19)11-13/h2-12H,1H3,(H,20,21)/b10-4+,17-9+
InChIKeyACXUCWLVWVZOLG-IEOJZXEPSA-N
XLogP3.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-bis(3-fluorophenyl)penta-2,4-dienoic acid
CID 54369783
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 88605067
(4-nitrophenyl) (2E)-5,5-bis(3-methoxyphenyl)penta-2,4-dienoate
CID 14347314
(E)-3-(2,5-difluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 52643172
ethyl (3E)-6,6-bis(3-methoxyphenyl)hexa-3,5-dienoate
CID 172805564
(2E,4Z)-5-(3-methoxyphenyl)penta-2,4-dienoic acid
CID 86306504
5-phenyl-5-[3-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 91238764
2-(3-fluorophenyl)-1-(3-methoxyphenyl)ethanone
CID 60797583
(2E,4Z)-5-(3-fluorophenyl)-5-(4-methoxyphenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
CID 88605091
(2E,4Z)-5-(3-cyclobutyloxyphenyl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 151033384
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774
methyl 5-(4-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 54355919

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid (CID 14347301) is (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid is COc1cccc(/C(=C/C=C/C(=O)O)c2cccc(F)c2)c1.
What is the InChIKey of (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid?
The InChIKey is ACXUCWLVWVZOLG-IEOJZXEPSA-N. The full InChI is InChI=1S/C18H15FO3/c1-22-16-8-3-6-14(12-16)17(9-4-10-18(20)21)13-5-2-7-15(19)11-13/h2-12H,1H3,(H,20,21)/b10-4+,17-9+.
What are the key properties of (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid?
(2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid has a molecular weight of 298.31 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(3-fluorophenyl)-5-(3-methoxyphenyl)penta-2,4-dienoic acid is sourced from PubChem (CID 14347301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).