2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one

C19H18O5 — CID 1413436

IUPAC2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2O)cc1OC
InChIInChI=1S/C19H18O5/c1-10-7-11(2)16-15(8-10)24-19(18(21)17(16)20)12-5-6-13(22-3)14(9-12)23-4/h5-9,21H,1-4H3
InChIKeyJENABMAPOQOCLM-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.80
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one

2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one (PubChem CID 1413436) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
PubChem CID1413436
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2O)cc1OC
InChIInChI=1S/C19H18O5/c1-10-7-11(2)16-15(8-10)24-19(18(21)17(16)20)12-5-6-13(22-3)14(9-12)23-4/h5-9,21H,1-4H3
InChIKeyJENABMAPOQOCLM-UHFFFAOYSA-N
XLogP3.80
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 1413457
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
2-(3,4-dimethoxyphenyl)-5,6-dihydroxy-3,7-dimethoxychromen-4-one
CID 14376225
3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxychromen-4-one
CID 5317287
3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 56946608
(NE)-N-[2-(3,4-dimethoxyphenyl)-5,7-dimethylchromen-4-ylidene]hydroxylamine
CID 6871166
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-iodo-6-methoxychromen-4-one
CID 167110086
3,5,6-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 141478271
2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;methoxymethane
CID 68984342
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(3,4-dimethoxyphenyl)-3-hydroxy-7-(3-methylbut-1-enoxy)chromen-4-one
CID 156774994
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one (CID 1413436) is 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one is COc1ccc(-c2oc3cc(C)cc(C)c3c(=O)c2O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one?
The InChIKey is JENABMAPOQOCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-10-7-11(2)16-15(8-10)24-19(18(21)17(16)20)12-5-6-13(22-3)14(9-12)23-4/h5-9,21H,1-4H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one?
2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-3-hydroxy-5,7-dimethylchromen-4-one is sourced from PubChem (CID 1413436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).