4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione

C15H10O6 — CID 101388790

IUPAC4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC(C2CC(=O)c3c(O)cc(O)cc3O2)=CC1=O
InChIInChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16,19H,6H2
InChIKeyVPSPLOPMSKAHEU-UHFFFAOYSA-N
MW286.24 g/mol
LogP1.07
Rot. Bonds1

About 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione

4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione (PubChem CID 101388790) has the molecular formula C15H10O6 and a molecular weight of 286.24 g/mol. Its IUPAC name is 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione.

Molecular Properties

Compound Name4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
PubChem CID101388790
Molecular FormulaC15H10O6
Molecular Weight286.24 g/mol
Exact Mass286.05
IUPAC Name4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione
SMILESO=C1C=CC(C2CC(=O)c3c(O)cc(O)cc3O2)=CC1=O
InChIInChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16,19H,6H2
InChIKeyVPSPLOPMSKAHEU-UHFFFAOYSA-N
XLogP1.07
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 11483087
2-(3,5-dichloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195842
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 932
(2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 10356745
5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one;N,N-dimethylmethanamine
CID 174718034
(2R)-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one;ethane
CID 143810700
(2R)-5,7-dihydroxy-2-(4-hydroxycyclohexa-1,3-dien-1-yl)-2,3-dihydrochromen-4-one
CID 163048664
(2S)-2-ethenyl-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169174293
(2R)-5,7-dihydroxy-2-(3-hydroxy-5-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 163062623
2-(2-chloro-4-hydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 169195853
5-[(2S)-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxybenzaldehyde
CID 102127187
2-(3,4-dibutoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 91715643

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione?
The IUPAC name of 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione (CID 101388790) is 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione.
What is the SMILES notation for 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione?
The canonical SMILES for 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione is O=C1C=CC(C2CC(=O)c3c(O)cc(O)cc3O2)=CC1=O.
What is the InChIKey of 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione?
The InChIKey is VPSPLOPMSKAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16,19H,6H2.
What are the key properties of 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione?
4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione has a molecular weight of 286.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)cyclohexa-3,5-diene-1,2-dione is sourced from PubChem (CID 101388790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).