(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one

C12H12O3 — CID 58473004

IUPAC(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one
SMILESCc1cc(/C=C2\OCCC2=O)ccc1O
InChIInChI=1S/C12H12O3/c1-8-6-9(2-3-10(8)13)7-12-11(14)4-5-15-12/h2-3,6-7,13H,4-5H2,1H3/b12-7-
InChIKeyVIEXEYQMQVQQLK-GHXNOFRVSA-N
MW204.22 g/mol
LogP2.03
Rot. Bonds1

About (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one

(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one (PubChem CID 58473004) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one
PubChem CID58473004
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one
SMILESCc1cc(/C=C2\OCCC2=O)ccc1O
InChIInChI=1S/C12H12O3/c1-8-6-9(2-3-10(8)13)7-12-11(14)4-5-15-12/h2-3,6-7,13H,4-5H2,1H3/b12-7-
InChIKeyVIEXEYQMQVQQLK-GHXNOFRVSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one?
The IUPAC name of (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one (CID 58473004) is (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one.
What is the SMILES notation for (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one?
The canonical SMILES for (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one is Cc1cc(/C=C2\OCCC2=O)ccc1O.
What is the InChIKey of (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one?
The InChIKey is VIEXEYQMQVQQLK-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-6-9(2-3-10(8)13)7-12-11(14)4-5-15-12/h2-3,6-7,13H,4-5H2,1H3/b12-7-.
What are the key properties of (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one?
(2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one has a molecular weight of 204.22 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-hydroxy-3-methylphenyl)methylidene]oxolan-3-one is sourced from PubChem (CID 58473004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).