3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one

C17H14O7 — CID 70253991

IUPAC3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1c(OC)c(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1O
InChIInChI=1S/C17H14O7/c1-22-16-11(19)9-10(18)12(20)14(8-6-4-3-5-7-8)24-15(9)13(21)17(16)23-2/h3-7,19-21H,1-2H3
InChIKeyWPYIFCJESKORSR-UHFFFAOYSA-N
MW330.29 g/mol
LogP2.59
Rot. Bonds3

About 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one

3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one (PubChem CID 70253991) has the molecular formula C17H14O7 and a molecular weight of 330.29 g/mol. Its IUPAC name is 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
PubChem CID70253991
Molecular FormulaC17H14O7
Molecular Weight330.29 g/mol
Exact Mass330.07
IUPAC Name3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
SMILESCOc1c(OC)c(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1O
InChIInChI=1S/C17H14O7/c1-22-16-11(19)9-10(18)12(20)14(8-6-4-3-5-7-8)24-15(9)13(21)17(16)23-2/h3-7,19-21H,1-2H3
InChIKeyWPYIFCJESKORSR-UHFFFAOYSA-N
XLogP2.59
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,5,7-trihydroxy-6,8-dimethoxy-2-phenylchromen-4-one
CID 15290459
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
CID 140843244
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
3,5,7,8-tetrahydroxy-6-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 626962
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3,5,6,7-tetrahydroxy-2-phenyl-8-(2,2,2-trihydroxyethyl)chromen-4-one
CID 141115651
3,5,6,7,8-pentahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 178063472
2-(2,3-dihydroxyphenyl)-8-hydroxy-3,5,6,7-tetramethoxychromen-4-one
CID 172651857
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673

Frequently Asked Questions

What is the IUPAC name of 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one?
The IUPAC name of 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one (CID 70253991) is 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one.
What is the SMILES notation for 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one?
The canonical SMILES for 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one is COc1c(OC)c(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1O.
What is the InChIKey of 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one?
The InChIKey is WPYIFCJESKORSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7/c1-22-16-11(19)9-10(18)12(20)14(8-6-4-3-5-7-8)24-15(9)13(21)17(16)23-2/h3-7,19-21H,1-2H3.
What are the key properties of 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one?
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one has a molecular weight of 330.29 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one is sourced from PubChem (CID 70253991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).