(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione

C18H10O5 — CID 163194275

IUPAC(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
SMILESO=C1Oc2ccccc2/C1=C1\OC(=O)[C@H](c2ccccc2)C1=O
InChIInChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,13H/b16-14+/t13-/m1/s1
InChIKeyKHHDAVTUBGFTOU-ZPTIMJQQSA-N
MW306.27 g/mol
LogP2.23
Rot. Bonds1

About (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione

(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione (PubChem CID 163194275) has the molecular formula C18H10O5 and a molecular weight of 306.27 g/mol. Its IUPAC name is (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione.

Molecular Properties

Compound Name(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
PubChem CID163194275
Molecular FormulaC18H10O5
Molecular Weight306.27 g/mol
Exact Mass306.05
IUPAC Name(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione
SMILESO=C1Oc2ccccc2/C1=C1\OC(=O)[C@H](c2ccccc2)C1=O
InChIInChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,13H/b16-14+/t13-/m1/s1
InChIKeyKHHDAVTUBGFTOU-ZPTIMJQQSA-N
XLogP2.23
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-phenylchromene-2,4-dione
CID 129303785
ethane;3-phenyl-3H-1-benzofuran-2-one
CID 91570069
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
3-phenyl-3H-furo[3,2-b]pyridin-2-one
CID 163201030
(3E)-3-(5-oxofuran-2-ylidene)-1-benzofuran-2-one
CID 56957647
(3S)-5-methyl-3-phenyl-3H-1-benzofuran-2-one
CID 830700
8-phenylbicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 14617627
9-[2,3-di(xanthen-9-ylidene)cyclopropylidene]xanthene
CID 102008343
(3R)-3-(4-methylphenyl)-3H-1-benzofuran-2-one
CID 99644827
3-[(2,4-dioxochromen-3-yl)diazenyl]chromene-2,4-dione
CID 144650926
2,5-diphenyl-1,3-dioxane-4,6-dione
CID 10683306
(3S)-5-chloro-3-phenyl-3H-1-benzofuran-2-one
CID 877373

Frequently Asked Questions

What is the IUPAC name of (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione?
The IUPAC name of (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione (CID 163194275) is (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione.
What is the SMILES notation for (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione?
The canonical SMILES for (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione is O=C1Oc2ccccc2/C1=C1\OC(=O)[C@H](c2ccccc2)C1=O.
What is the InChIKey of (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione?
The InChIKey is KHHDAVTUBGFTOU-ZPTIMJQQSA-N. The full InChI is InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,13H/b16-14+/t13-/m1/s1.
What are the key properties of (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione?
(3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione has a molecular weight of 306.27 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5E)-5-(2-oxo-1-benzofuran-3-ylidene)-3-phenyloxolane-2,4-dione is sourced from PubChem (CID 163194275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).