8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one

C15H16O4 — CID 13343540

IUPAC8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
SMILESC=C(C)C(O)Cc1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
InChIKeySQSRYWNOKPJENY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.28
Rot. Bonds4

About 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one

8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one (PubChem CID 13343540) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
PubChem CID13343540
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one
SMILESC=C(C)C(O)Cc1c(OC)ccc2ccc(=O)oc12
InChIInChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3
InChIKeySQSRYWNOKPJENY-UHFFFAOYSA-N
XLogP2.28
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
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 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one?
The IUPAC name of 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one (CID 13343540) is 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one.
What is the SMILES notation for 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one?
The canonical SMILES for 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one is C=C(C)C(O)Cc1c(OC)ccc2ccc(=O)oc12.
What is the InChIKey of 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one?
The InChIKey is SQSRYWNOKPJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-9(2)12(16)8-11-13(18-3)6-4-10-5-7-14(17)19-15(10)11/h4-7,12,16H,1,8H2,2-3H3.
What are the key properties of 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one?
8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-3-methylbut-3-enyl)-7-methoxychromen-2-one is sourced from PubChem (CID 13343540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).