5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one

C15H16O6 — CID 74817389

IUPAC5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
SMILESCC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO
InChIInChI=1S/C15H16O6/c1-8(6-16)2-3-10-11(18)5-13(20)14-12(19)4-9(7-17)21-15(10)14/h2,4-5,16-18,20H,3,6-7H2,1H3
InChIKeyYLSUOAXNFAMZNP-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.18
Rot. Bonds4

About 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one

5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one (PubChem CID 74817389) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
PubChem CID74817389
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
SMILESCC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO
InChIInChI=1S/C15H16O6/c1-8(6-16)2-3-10-11(18)5-13(20)14-12(19)4-9(7-17)21-15(10)14/h2,4-5,16-18,20H,3,6-7H2,1H3
InChIKeyYLSUOAXNFAMZNP-UHFFFAOYSA-N
XLogP1.18
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(4-methylphenyl)chromen-4-one
CID 139750917
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 5281903
2-(4-bromophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 139750916
2-(4-chlorophenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 59152467
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
CID 162895992
5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 44562556
1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
CID 123280234
4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5,6-tetrahydroxy-8-(3-methylbut-2-enyl)xanthen-9-one
CID 11167179
2-[3,4-dihydroxy-5-(2-hydroxy-3-methylbut-3-enyl)phenyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 131676093
2-(furan-2-yl)-7-hydroxy-5-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 166172029
1-[(2Z)-3,6-dimethylhepta-2,5-dienyl]-3,6,8-trihydroxy-7-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-methoxyxanthen-9-one
CID 171357695
2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one (CID 74817389) is 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one is CC(=CCc1c(O)cc(O)c2c(=O)cc(CO)oc12)CO.
What is the InChIKey of 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one?
The InChIKey is YLSUOAXNFAMZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-8(6-16)2-3-10-11(18)5-13(20)14-12(19)4-9(7-17)21-15(10)14/h2,4-5,16-18,20H,3,6-7H2,1H3.
What are the key properties of 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one?
5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one has a molecular weight of 292.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(hydroxymethyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one is sourced from PubChem (CID 74817389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).