(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid

C23H18O5 — CID 5386472

IUPAC(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
SMILESCOC(=O)/C(=C/c1ccc(/C=C(/C(=O)O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C23H18O5/c1-27-23(26)21(17-10-6-3-7-11-17)15-19-13-12-18(28-19)14-20(22(24)25)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)/b20-14+,21-15+
InChIKeySRCNIGKGBBTTCH-OZNQKUEASA-N
MW374.39 g/mol
LogP4.62
Rot. Bonds6

About (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid

(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid (PubChem CID 5386472) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
PubChem CID5386472
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid
SMILESCOC(=O)/C(=C/c1ccc(/C=C(/C(=O)O)c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C23H18O5/c1-27-23(26)21(17-10-6-3-7-11-17)15-19-13-12-18(28-19)14-20(22(24)25)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)/b20-14+,21-15+
InChIKeySRCNIGKGBBTTCH-OZNQKUEASA-N
XLogP4.62
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(5-nitrofuran-2-yl)-2-phenylprop-2-enoate
CID 20519566
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl 2-phenyl-3-thiophen-2-ylprop-2-enoate
CID 2764285
methyl (E)-3-(2-cyanophenyl)-2-phenylprop-2-enoate
CID 102379772
methyl 2-cyano-3-[5-(2-phenylprop-1-enyl)furan-2-yl]prop-2-enoate
CID 59920550
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
(E)-3-[5-(2-nitrophenyl)furan-2-yl]-2-phenylprop-2-enoic acid
CID 22299403

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid?
The IUPAC name of (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid (CID 5386472) is (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid?
The canonical SMILES for (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid is COC(=O)/C(=C/c1ccc(/C=C(/C(=O)O)c2ccccc2)o1)c1ccccc1.
What is the InChIKey of (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid?
The InChIKey is SRCNIGKGBBTTCH-OZNQKUEASA-N. The full InChI is InChI=1S/C23H18O5/c1-27-23(26)21(17-10-6-3-7-11-17)15-19-13-12-18(28-19)14-20(22(24)25)16-8-4-2-5-9-16/h2-15H,1H3,(H,24,25)/b20-14+,21-15+.
What are the key properties of (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid?
(E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid has a molecular weight of 374.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-[(E)-3-methoxy-3-oxo-2-phenylprop-1-enyl]furan-2-yl]-2-phenylprop-2-enoic acid is sourced from PubChem (CID 5386472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).