2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one

C15H12O7 — CID 89353439

IUPAC2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one
SMILESO=c1c(O)c(C2=CCC(O)C(O)=C2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1,3-5,8,16-19,21H,2H2
InChIKeyXIXGIFFVRCFESH-UHFFFAOYSA-N
MW304.25 g/mol
LogP1.50
Rot. Bonds1

About 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one

2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one (PubChem CID 89353439) has the molecular formula C15H12O7 and a molecular weight of 304.25 g/mol. Its IUPAC name is 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one.

Molecular Properties

Compound Name2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one
PubChem CID89353439
Molecular FormulaC15H12O7
Molecular Weight304.25 g/mol
Exact Mass304.06
IUPAC Name2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one
SMILESO=c1c(O)c(C2=CCC(O)C(O)=C2)oc2cc(O)cc(O)c12
InChIInChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1,3-5,8,16-19,21H,2H2
InChIKeyXIXGIFFVRCFESH-UHFFFAOYSA-N
XLogP1.50
TPSA131.36 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 51.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

cyclohexane-1,2,3,4,5,6-hexol;2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 70292403
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 5281672
3,5,7-trihydroxy-2-phenylchromen-4-one
CID 162642124
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;neodymium
CID 175525833
cobalt;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 174557156
3,5,7-trihydroxy-2-(4-iodophenyl)chromen-4-one
CID 10453329
actinium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
CID 20670067
sodium;2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;chloride
CID 175300152
bis(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one);manganese(2+);dihydrate
CID 53494945
3,5,7-trihydroxy-2-(3-iminocyclohexen-1-yl)chromen-4-one
CID 137061580
4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzoic acid
CID 86205753

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one?
The IUPAC name of 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one (CID 89353439) is 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one.
What is the SMILES notation for 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one?
The canonical SMILES for 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one is O=c1c(O)c(C2=CCC(O)C(O)=C2)oc2cc(O)cc(O)c12.
What is the InChIKey of 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one?
The InChIKey is XIXGIFFVRCFESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1,3-5,8,16-19,21H,2H2.
What are the key properties of 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one?
2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one has a molecular weight of 304.25 g/mol, XLogP of 1.50, 1 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one is sourced from PubChem (CID 89353439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).