(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one

C13H12O4 — CID 10998863

IUPAC(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
SMILESO=C1C=C/C(=C/[C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C13H12O4/c14-11(8-10-6-7-12(15)17-10)13(16)9-4-2-1-3-5-9/h1-8,11,13-14,16H/b10-8-/t11-,13+/m0/s1
InChIKeyXDLSRIVPCBODNQ-RJSMLTLRSA-N
MW232.24 g/mol
LogP1.08
Rot. Bonds3

About (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one

(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one (PubChem CID 10998863) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
PubChem CID10998863
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
SMILESO=C1C=C/C(=C/[C@H](O)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C13H12O4/c14-11(8-10-6-7-12(15)17-10)13(16)9-4-2-1-3-5-9/h1-8,11,13-14,16H/b10-8-/t11-,13+/m0/s1
InChIKeyXDLSRIVPCBODNQ-RJSMLTLRSA-N
XLogP1.08
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one?
The IUPAC name of (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one (CID 10998863) is (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one.
What is the SMILES notation for (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one?
The canonical SMILES for (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one is O=C1C=C/C(=C/[C@H](O)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one?
The InChIKey is XDLSRIVPCBODNQ-RJSMLTLRSA-N. The full InChI is InChI=1S/C13H12O4/c14-11(8-10-6-7-12(15)17-10)13(16)9-4-2-1-3-5-9/h1-8,11,13-14,16H/b10-8-/t11-,13+/m0/s1.
What are the key properties of (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one?
(5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one has a molecular weight of 232.24 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2S,3R)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one is sourced from PubChem (CID 10998863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).