4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

C16H16O2 — CID 135036976

IUPAC4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC/C=C/C1C(=O)C(c2ccccc2)=C2COCC21
InChIInChI=1S/C16H16O2/c1-2-6-12-13-9-18-10-14(13)15(16(12)17)11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+
InChIKeyKMOPFLORBWAYGA-QHHAFSJGSA-N
MW240.30 g/mol
LogP2.86
Rot. Bonds2

About 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one

4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (PubChem CID 135036976) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.

Molecular Properties

Compound Name4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
PubChem CID135036976
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
SMILESC/C=C/C1C(=O)C(c2ccccc2)=C2COCC21
InChIInChI=1S/C16H16O2/c1-2-6-12-13-9-18-10-14(13)15(16(12)17)11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+
InChIKeyKMOPFLORBWAYGA-QHHAFSJGSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methylidene-4-(2-phenylethyl)-5-tridecyloxolan-2-one
CID 118708708
4-Butyl-3-methylidene-5-(2-phenylethyl)oxolan-2-one
CID 118708709
5-Butyl-3-methylidene-4-(2-phenylethyl)oxolan-2-one
CID 118708710
(3aR,9bR)-6-methyl-3-methylidene-9-phenyl-4,5,7,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,8-dione
CID 162654651
(3Z)-5-benzyl-3-(2-methylpropylidene)oxolan-2-one
CID 44400317
(4-Ethyl-3-phenyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)-phenylmethanone
CID 73348953
(3Z,3aS,6E,10E,11aR)-3-benzylidene-6,10-dimethyl-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 172468474
2,2-Difluoro-3-(4-methylideneoxolan-3-yl)-1-phenylpropan-1-one
CID 10015070
2-(4-Trifluoromethylphenyl)-7-oxabicyclo[3.3.0] oct-1-en-3-one
CID 11254166
1H-Cyclopenta[c]furan-5(3H)-one, 3a,4-dihydro-6-phenyl-
CID 10262188
4-(4-Chlorophenyl)-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one
CID 10900586
Ethyl 5-phenylcyclopentene-1-carboxylate
CID 11514036

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The IUPAC name of 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one (CID 135036976) is 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one.
What is the SMILES notation for 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The canonical SMILES for 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is C/C=C/C1C(=O)C(c2ccccc2)=C2COCC21.
What is the InChIKey of 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
The InChIKey is KMOPFLORBWAYGA-QHHAFSJGSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-6-12-13-9-18-10-14(13)15(16(12)17)11-7-4-3-5-8-11/h2-8,12-13H,9-10H2,1H3/b6-2+.
What are the key properties of 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one?
4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one has a molecular weight of 240.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[(E)-prop-1-enyl]-1,3,6,6a-tetrahydrocyclopenta[c]furan-5-one is sourced from PubChem (CID 135036976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).