6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

C20H16O6 — CID 5319901

IUPAC6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESC=C(C)C1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1
InChIInChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
InChIKeyDOGAHANJPKBCGB-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.46
Rot. Bonds2

About 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 5319901) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID5319901
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESC=C(C)C1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1
InChIInChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3
InChIKeyDOGAHANJPKBCGB-UHFFFAOYSA-N
XLogP3.46
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Rotenone
CID 6758
Genistein
CID 5280961
Bergapten
CID 2355
2-Hydroxy-4-methoxybenzophenone
CID 4632
Octabenzone
CID 15797
Apigenin
CID 5280443
Diosmetin
CID 5281612
Hesperetin
CID 72281
Daidzin
CID 107971
Naringenin
CID 439246
Formononetin
CID 5280378
Kaempferol
CID 5280863

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 5319901) is 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is C=C(C)C1Cc2c(cc3occ(-c4ccc(O)cc4O)c(=O)c3c2O)O1.
What is the InChIKey of 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is DOGAHANJPKBCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-9(2)15-6-12-16(26-15)7-17-18(19(12)23)20(24)13(8-25-17)11-4-3-10(21)5-14(11)22/h3-5,7-8,15,21-23H,1,6H2,2H3.
What are the key properties of 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 352.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 5319901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).