4-prop-2-enoxychromen-2-one

C12H10O3 — CID 5133468

IUPAC4-prop-2-enoxychromen-2-one
SMILESC=CCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyLWRKLYVFSHDLMU-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.36
Rot. Bonds3

About 4-prop-2-enoxychromen-2-one

4-prop-2-enoxychromen-2-one (PubChem CID 5133468) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-prop-2-enoxychromen-2-one.

Molecular Properties

Compound Name4-prop-2-enoxychromen-2-one
PubChem CID5133468
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-prop-2-enoxychromen-2-one
SMILESC=CCOc1cc(=O)oc2ccccc12
InChIInChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2
InChIKeyLWRKLYVFSHDLMU-UHFFFAOYSA-N
XLogP2.36
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxychromen-2-one?
The IUPAC name of 4-prop-2-enoxychromen-2-one (CID 5133468) is 4-prop-2-enoxychromen-2-one.
What is the SMILES notation for 4-prop-2-enoxychromen-2-one?
The canonical SMILES for 4-prop-2-enoxychromen-2-one is C=CCOc1cc(=O)oc2ccccc12.
What is the InChIKey of 4-prop-2-enoxychromen-2-one?
The InChIKey is LWRKLYVFSHDLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-2-7-14-11-8-12(13)15-10-6-4-3-5-9(10)11/h2-6,8H,1,7H2.
What are the key properties of 4-prop-2-enoxychromen-2-one?
4-prop-2-enoxychromen-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxychromen-2-one is sourced from PubChem (CID 5133468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).