(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid

C16H14O5 — CID 118073284

IUPAC(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
SMILESCOC(=O)/C(CC(=O)O)=C(/c1ccccc1)c1ccco1
InChIInChI=1S/C16H14O5/c1-20-16(19)12(10-14(17)18)15(13-8-5-9-21-13)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)/b15-12-
InChIKeyMOAXPUCGTYYOBK-QINSGFPZSA-N
MW286.28 g/mol
LogP2.73
Rot. Bonds5

About (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid

(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid (PubChem CID 118073284) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
PubChem CID118073284
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid
SMILESCOC(=O)/C(CC(=O)O)=C(/c1ccccc1)c1ccco1
InChIInChI=1S/C16H14O5/c1-20-16(19)12(10-14(17)18)15(13-8-5-9-21-13)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)/b15-12-
InChIKeyMOAXPUCGTYYOBK-QINSGFPZSA-N
XLogP2.73
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2Z)-2-(furan-2-yl)-2-hydroxyiminoacetate
CID 87793315
methyl 2-[[furan-2-yl(phenyl)methylidene]amino]acetate
CID 141348967
1,1'-biphenyl;methyl furan-2-carboxylate
CID 159970386
(E)-3-methoxycarbonyl-4,5-diphenylhex-3-enoic acid
CID 15283170
3-(furan-2-yl)but-3-enoic acid
CID 117268805
methyl (Z)-2-(furan-2-carbonylamino)but-2-enoate
CID 102388440
(3Z)-3-(furan-2-yl)-3-hydroxyiminopropanoic acid
CID 55250666
(2-benzamido-2-oxoethyl) furan-2-carboxylate
CID 7486704
1-(3,4-dimethoxyphenyl)-3-(furan-2-yl)propane-1,3-dione
CID 43321207
methyl 3-benzyl-2-methylpenta-2,4-dienoate
CID 174507685
(Z)-3-ethoxycarbonyl-4-(2-fluorophenyl)-4-phenylbut-3-enoic acid
CID 175700684
(Z)-3-(furan-2-yl)pent-2-enoic acid
CID 62632161

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid?
The IUPAC name of (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid (CID 118073284) is (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid.
What is the SMILES notation for (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid?
The canonical SMILES for (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid is COC(=O)/C(CC(=O)O)=C(/c1ccccc1)c1ccco1.
What is the InChIKey of (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid?
The InChIKey is MOAXPUCGTYYOBK-QINSGFPZSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-16(19)12(10-14(17)18)15(13-8-5-9-21-13)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)/b15-12-.
What are the key properties of (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid?
(Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(furan-2-yl)-3-methoxycarbonyl-4-phenylbut-3-enoic acid is sourced from PubChem (CID 118073284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).