prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate

C18H14O4 — CID 102266534

IUPACprop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate
SMILESC=CCOC(=O)C1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C18H14O4/c1-2-12-21-17(20)18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(19)22-18/h2-11H,1,12H2
InChIKeyHZKIOXUWJICOLK-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.83
Rot. Bonds4

About prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate

prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate (PubChem CID 102266534) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate
PubChem CID102266534
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Nameprop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate
SMILESC=CCOC(=O)C1(c2ccccc2)OC(=O)c2ccccc21
InChIInChI=1S/C18H14O4/c1-2-12-21-17(20)18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(19)22-18/h2-11H,1,12H2
InChIKeyHZKIOXUWJICOLK-UHFFFAOYSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-prop-2-enoxybutanoic acid
CID 101350894
3-(2-aminoethyl)-3-phenyl-2-benzofuran-1-one
CID 24971517
1-(3-bromophenyl)-3-oxo-2-benzofuran-1-carboxamide
CID 101092549
3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-phenyl-3-(2-prop-2-enylphenoxy)-2-benzofuran-1-one
CID 2844898
4-phenyl-4-prop-2-enoxycarbonyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 58025330
benzyl 1-nitroso-3-oxo-2-benzofuran-1-carboxylate
CID 142088069
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3-(nitromethyl)-3-phenyl-2-benzofuran-1-one
CID 177465354
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
CID 100914057
prop-2-enyl 2-oxo-4-phenyl-3-prop-2-enylfuran-3-carboxylate
CID 102306364

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate?
The IUPAC name of prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate (CID 102266534) is prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate.
What is the SMILES notation for prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate?
The canonical SMILES for prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate is C=CCOC(=O)C1(c2ccccc2)OC(=O)c2ccccc21.
What is the InChIKey of prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate?
The InChIKey is HZKIOXUWJICOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-2-12-21-17(20)18(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(19)22-18/h2-11H,1,12H2.
What are the key properties of prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate?
prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-oxo-1-phenyl-2-benzofuran-1-carboxylate is sourced from PubChem (CID 102266534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).