2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one

C16H12O8 — CID 102403396

IUPAC2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)c(O)cc1O
InChIInChI=1S/C16H12O8/c1-23-13-2-6(7(17)3-8(13)18)12-5-10(20)14-9(19)4-11(21)15(22)16(14)24-12/h2-5,17-19,21-22H,1H3
InChIKeyBXDWUULVDUHILL-UHFFFAOYSA-N
MW332.26 g/mol
LogP2.00
Rot. Bonds2

About 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one

2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one (PubChem CID 102403396) has the molecular formula C16H12O8 and a molecular weight of 332.26 g/mol. Its IUPAC name is 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
PubChem CID102403396
Molecular FormulaC16H12O8
Molecular Weight332.26 g/mol
Exact Mass332.05
IUPAC Name2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one
SMILESCOc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)c(O)cc1O
InChIInChI=1S/C16H12O8/c1-23-13-2-6(7(17)3-8(13)18)12-5-10(20)14-9(19)4-11(21)15(22)16(14)24-12/h2-5,17-19,21-22H,1H3
InChIKeyBXDWUULVDUHILL-UHFFFAOYSA-N
XLogP2.00
TPSA140.59 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-5,7,8-trihydroxychromen-4-one
CID 71403910
5-bromo-8-chloro-2-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 146460571
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
8-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 165429824
5,8-dihydroxy-7-methoxy-2-methylchromen-4-one
CID 75361247
3,5,7,8-tetrahydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 90744052
3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 15907673
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-2-(2-hydroxy-5-methoxyphenyl)-6,8-dimethylchromen-4-one
CID 5319463
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
5,6,7,8-tetrahydroxy-2-(2,3,4,5-tetrahydroxyphenyl)chromen-4-one
CID 57494717
5-hydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 688677

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one?
The IUPAC name of 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one (CID 102403396) is 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one.
What is the SMILES notation for 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one?
The canonical SMILES for 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one is COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)c(O)cc1O.
What is the InChIKey of 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one?
The InChIKey is BXDWUULVDUHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O8/c1-23-13-2-6(7(17)3-8(13)18)12-5-10(20)14-9(19)4-11(21)15(22)16(14)24-12/h2-5,17-19,21-22H,1H3.
What are the key properties of 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one?
2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one has a molecular weight of 332.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxy-5-methoxyphenyl)-5,7,8-trihydroxychromen-4-one is sourced from PubChem (CID 102403396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).