5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one

C16H16O5 — CID 53321196

IUPAC5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
SMILESC=CCOc1cc2oc(C)cc(=O)c2c(O)c1OCC=C
InChIInChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3
InChIKeyMOTNQMLZPQLTFA-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.94
Rot. Bonds6

About 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one

5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one (PubChem CID 53321196) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
PubChem CID53321196
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Name5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one
SMILESC=CCOc1cc2oc(C)cc(=O)c2c(O)c1OCC=C
InChIInChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3
InChIKeyMOTNQMLZPQLTFA-UHFFFAOYSA-N
XLogP2.94
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 52918156
5-hydroxy-2,6-dimethylchromen-4-one
CID 170989896
5,7-dihydroxy-2,6-dimethylchromen-4-one
CID 5036604
5-hydroxy-8-methylpyrano[3,2-g]chromene-2,6-dione
CID 42631475
2-phenyl-5,6-bis(phenylmethoxy)-7-prop-2-enoxychromen-4-one
CID 56649004
5-hydroxy-6-(5-hydroxy-2-methyl-3-oxohexyl)-7-methoxy-2-methylchromen-4-one
CID 139586252
4-[2-(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)acetyl]oxy-3-methylbut-3-enoic acid
CID 162946886
5,7-dihydroxy-6-methoxy-2,8-dimethylchromen-4-one
CID 14482774
2-[(1E,3Z,5Z)-3,4-dimethoxyhepta-1,3,5-trienyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 144525991
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5-hydroxy-2-methyl-8H-cyclopenta[g]chromen-4-one
CID 130193601
7-hydroxy-2-methyl-8-prop-2-enylchromen-4-one
CID 14089868

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one?
The IUPAC name of 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one (CID 53321196) is 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one.
What is the SMILES notation for 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one?
The canonical SMILES for 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one is C=CCOc1cc2oc(C)cc(=O)c2c(O)c1OCC=C.
What is the InChIKey of 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one?
The InChIKey is MOTNQMLZPQLTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O5/c1-4-6-19-13-9-12-14(11(17)8-10(3)21-12)15(18)16(13)20-7-5-2/h4-5,8-9,18H,1-2,6-7H2,3H3.
What are the key properties of 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one?
5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one has a molecular weight of 288.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-6,7-bis(prop-2-enoxy)chromen-4-one is sourced from PubChem (CID 53321196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).