1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one

C19H14O6 — CID 101137062

IUPAC1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one
SMILESCC(C)=Cc1c(O)cc(O)c2c(=O)c3c(oc4cc(O)ccc43)oc12
InChIInChI=1S/C19H14O6/c1-8(2)5-11-12(21)7-13(22)16-17(23)15-10-4-3-9(20)6-14(10)24-19(15)25-18(11)16/h3-7,20-22H,1-2H3
InChIKeyVZFACEGSWIWMHB-UHFFFAOYSA-N
MW338.32 g/mol
LogP4.23
Rot. Bonds1

About 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one

1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one (PubChem CID 101137062) has the molecular formula C19H14O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one.

Molecular Properties

Compound Name1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one
PubChem CID101137062
Molecular FormulaC19H14O6
Molecular Weight338.32 g/mol
Exact Mass338.08
IUPAC Name1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one
SMILESCC(C)=Cc1c(O)cc(O)c2c(=O)c3c(oc4cc(O)ccc43)oc12
InChIInChI=1S/C19H14O6/c1-8(2)5-11-12(21)7-13(22)16-17(23)15-10-4-3-9(20)6-14(10)24-19(15)25-18(11)16/h3-7,20-22H,1-2H3
InChIKeyVZFACEGSWIWMHB-UHFFFAOYSA-N
XLogP4.23
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
CID 11645805
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CID 14309761
1,3,7-trihydroxy-4-(3-methylbut-2-enyl)xanthen-9-one
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1,3,6-trihydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
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4,7-dihydroxy-2-oxochromene-3-carbaldehyde
CID 137208579
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759
1,3,8-trihydroxy-5-sulfanylxanthen-9-one
CID 141458514
3-hydroxy-7-methylbenzo[c]chromen-6-one
CID 171935919
2-(2,3-dihydroxyphenyl)-3,7-dihydroxychromen-4-one
CID 153409103
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
3-(2-ethylbut-1-enyl)-7-hydroxy-4-methylchromen-2-one
CID 170746218
9-hydroxy-3-methoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 131750884

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one?
The IUPAC name of 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one (CID 101137062) is 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one.
What is the SMILES notation for 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one?
The canonical SMILES for 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one is CC(C)=Cc1c(O)cc(O)c2c(=O)c3c(oc4cc(O)ccc43)oc12.
What is the InChIKey of 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one?
The InChIKey is VZFACEGSWIWMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O6/c1-8(2)5-11-12(21)7-13(22)16-17(23)15-10-4-3-9(20)6-14(10)24-19(15)25-18(11)16/h3-7,20-22H,1-2H3.
What are the key properties of 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one?
1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one has a molecular weight of 338.32 g/mol, XLogP of 4.23, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one is sourced from PubChem (CID 101137062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).