2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one

C18H16O4 — CID 59679761

IUPAC2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
SMILESCc1cc(O)c2c(=O)c(O)c(-c3ccc(C)c(C)c3)oc2c1
InChIInChI=1S/C18H16O4/c1-9-6-13(19)15-14(7-9)22-18(17(21)16(15)20)12-5-4-10(2)11(3)8-12/h4-8,19,21H,1-3H3
InChIKeyPRERXXPHXOCKRO-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.80
Rot. Bonds1

About 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one

2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one (PubChem CID 59679761) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
PubChem CID59679761
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
SMILESCc1cc(O)c2c(=O)c(O)c(-c3ccc(C)c(C)c3)oc2c1
InChIInChI=1S/C18H16O4/c1-9-6-13(19)15-14(7-9)22-18(17(21)16(15)20)12-5-4-10(2)11(3)8-12/h4-8,19,21H,1-3H3
InChIKeyPRERXXPHXOCKRO-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
CID 1413436
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;tris(2,3,5,6-tetramethylpyrazine)
CID 139048285
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 87194553
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one (CID 59679761) is 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one is Cc1cc(O)c2c(=O)c(O)c(-c3ccc(C)c(C)c3)oc2c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one?
The InChIKey is PRERXXPHXOCKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-9-6-13(19)15-14(7-9)22-18(17(21)16(15)20)12-5-4-10(2)11(3)8-12/h4-8,19,21H,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one?
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one is sourced from PubChem (CID 59679761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).