7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one

C15H16O4 — CID 15108314

IUPAC7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
SMILESCOc1cc(OCC=C(C)C)c2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3
InChIKeyHSJZJYCOXHKDBJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.15
Rot. Bonds4

About 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one

7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one (PubChem CID 15108314) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
PubChem CID15108314
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one
SMILESCOc1cc(OCC=C(C)C)c2ccc(=O)oc2c1
InChIInChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3
InChIKeyHSJZJYCOXHKDBJ-UHFFFAOYSA-N
XLogP3.15
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one?
The IUPAC name of 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one (CID 15108314) is 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one.
What is the SMILES notation for 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one?
The canonical SMILES for 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one is COc1cc(OCC=C(C)C)c2ccc(=O)oc2c1.
What is the InChIKey of 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one?
The InChIKey is HSJZJYCOXHKDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-10(2)6-7-18-13-8-11(17-3)9-14-12(13)4-5-15(16)19-14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one?
7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-5-(3-methylbut-2-enoxy)chromen-2-one is sourced from PubChem (CID 15108314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).