2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one

C19H18O8 — CID 15137940

IUPAC2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
SMILESCOc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1C
InChIInChI=1S/C19H18O8/c1-8-15-12(13(22)18(25-3)16(8)24-2)14(23)19(26-4)17(27-15)9-5-6-10(20)11(21)7-9/h5-7,20-22H,1-4H3
InChIKeyYPPLCKQCVPPTFY-UHFFFAOYSA-N
MW374.35 g/mol
LogP2.91
Rot. Bonds4

About 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one

2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one (PubChem CID 15137940) has the molecular formula C19H18O8 and a molecular weight of 374.35 g/mol. Its IUPAC name is 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one.

Molecular Properties

Compound Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
PubChem CID15137940
Molecular FormulaC19H18O8
Molecular Weight374.35 g/mol
Exact Mass374.10
IUPAC Name2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one
SMILESCOc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1C
InChIInChI=1S/C19H18O8/c1-8-15-12(13(22)18(25-3)16(8)24-2)14(23)19(26-4)17(27-15)9-5-6-10(20)11(21)7-9/h5-7,20-22H,1-4H3
InChIKeyYPPLCKQCVPPTFY-UHFFFAOYSA-N
XLogP2.91
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

8-(dimethylamino)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 46211779
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-3-methoxy-8-methylchromen-4-one
CID 146500533
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one
CID 10065066
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-methoxy-4-oxochromen-3-olate
CID 25201769
5,6,7-trihydroxy-2-(4-hydroxy-3-methylphenyl)-3-methoxychromen-4-one
CID 163023602
2-(3,4-dihydroxyphenyl)-3,8-dihydroxy-7-methoxychromen-4-one
CID 18372853
5-hydroxy-3,7,8-trimethoxy-2-(4-methoxy-3-methylphenyl)chromen-4-one
CID 162848461
2-(3,4-dihydroxyphenoxy)-5,7-dihydroxy-3-methoxy-6,8-dimethylchromen-4-one
CID 132989525
4-(5,7-dihydroxy-3,6-dimethoxy-4-oxochromen-2-yl)-2-hydroxybenzaldehyde
CID 142903601
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxychromen-4-one
CID 5380905

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one?
The IUPAC name of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one (CID 15137940) is 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one.
What is the SMILES notation for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one?
The canonical SMILES for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one is COc1c(OC)c(O)c2c(=O)c(OC)c(-c3ccc(O)c(O)c3)oc2c1C.
What is the InChIKey of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one?
The InChIKey is YPPLCKQCVPPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O8/c1-8-15-12(13(22)18(25-3)16(8)24-2)14(23)19(26-4)17(27-15)9-5-6-10(20)11(21)7-9/h5-7,20-22H,1-4H3.
What are the key properties of 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one?
2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one has a molecular weight of 374.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-8-methylchromen-4-one is sourced from PubChem (CID 15137940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).