7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

C20H18O7 — CID 632833

IUPAC7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2CC1O
InChIInChI=1S/C20H18O7/c1-20(2)16(23)6-11-14(27-20)7-15-17(18(11)24)19(25)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3
InChIKeyFGODEADFHOJKFY-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.65
Rot. Bonds1

About 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one

7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one (PubChem CID 632833) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one.

Molecular Properties

Compound Name7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
PubChem CID632833
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
SMILESCC1(C)Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2CC1O
InChIInChI=1S/C20H18O7/c1-20(2)16(23)6-11-14(27-20)7-15-17(18(11)24)19(25)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3
InChIKeyFGODEADFHOJKFY-UHFFFAOYSA-N
XLogP2.65
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The IUPAC name of 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one (CID 632833) is 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one.
What is the SMILES notation for 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The canonical SMILES for 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one is CC1(C)Oc2cc3occ(-c4ccc(O)cc4O)c(=O)c3c(O)c2CC1O.
What is the InChIKey of 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
The InChIKey is FGODEADFHOJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-20(2)16(23)6-11-14(27-20)7-15-17(18(11)24)19(25)12(8-26-15)10-4-3-9(21)5-13(10)22/h3-5,7-8,16,21-24H,6H2,1-2H3.
What are the key properties of 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one?
7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one has a molecular weight of 370.36 g/mol, XLogP of 2.65, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one is sourced from PubChem (CID 632833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).