3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione

C12H10O4 — CID 137333511

IUPAC3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
SMILESO=C1OC(=O)C(C=Cc2ccccc2)C1O
InChIInChI=1S/C12H10O4/c13-10-9(11(14)16-12(10)15)7-6-8-4-2-1-3-5-8/h1-7,9-10,13H
InChIKeyHFJHBDUCPFYAEL-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.76
Rot. Bonds2

About 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione

3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione (PubChem CID 137333511) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
PubChem CID137333511
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione
SMILESO=C1OC(=O)C(C=Cc2ccccc2)C1O
InChIInChI=1S/C12H10O4/c13-10-9(11(14)16-12(10)15)7-6-8-4-2-1-3-5-8/h1-7,9-10,13H
InChIKeyHFJHBDUCPFYAEL-UHFFFAOYSA-N
XLogP0.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-2-phenylethenyl]-3H-1-benzofuran-2-one
CID 164896790
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
5-(2-phenylethenyl)-3a,4,5,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151128115
(4S,6R)-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 10465961
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
(3aR,6aS)-4-methanimidoyl-6-[(Z)-2-phenylethenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]furan-1,3-dione
CID 162435861
3-(2-phenylethenyl)-4-propylideneoxolane-2,5-dione
CID 57149375
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
5,5-difluoro-4-hydroxy-6-[(E)-2-phenylethenyl]oxan-2-one
CID 56840412
2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
(3aS,4R,6aS)-4-[(E)-2-phenylethenyl]-3,3a,4,6a-tetrahydrofuro[2,3-c]furan-2,6-dione
CID 102049388
3-[(E)-2-phenylethenyl]oxetane
CID 132578776

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione?
The IUPAC name of 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione (CID 137333511) is 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione is O=C1OC(=O)C(C=Cc2ccccc2)C1O.
What is the InChIKey of 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione?
The InChIKey is HFJHBDUCPFYAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-10-9(11(14)16-12(10)15)7-6-8-4-2-1-3-5-8/h1-7,9-10,13H.
What are the key properties of 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione?
3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione has a molecular weight of 218.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-phenylethenyl)oxolane-2,5-dione is sourced from PubChem (CID 137333511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).