3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one

C19H16O6 — CID 11645805

IUPAC3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
SMILESCC(C)=Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C19H16O6/c1-9(2)7-12-13(21)8-14(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(20)6-4-10/h3-8,20-22,24H,1-2H3
InChIKeyZYXORAMEXPYWEL-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.71
Rot. Bonds2

About 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one (PubChem CID 11645805) has the molecular formula C19H16O6 and a molecular weight of 340.33 g/mol. Its IUPAC name is 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one.

Molecular Properties

Compound Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
PubChem CID11645805
Molecular FormulaC19H16O6
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one
SMILESCC(C)=Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12
InChIInChI=1S/C19H16O6/c1-9(2)7-12-13(21)8-14(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(20)6-4-10/h3-8,20-22,24H,1-2H3
InChIKeyZYXORAMEXPYWEL-UHFFFAOYSA-N
XLogP3.71
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-3-enyl)chromen-4-one
CID 175833714
3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbuta-1,3-dienyl)chromen-4-one
CID 164909835
1,3,8-trihydroxy-4-(2-methylprop-1-enyl)-[1]benzofuro[2,3-b]chromen-11-one
CID 101137062
3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
CID 171666830
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one
CID 1849
3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 5393154
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 162867640
2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
CID 5280647
3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;zinc
CID 175939811
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3,5,6-trihydroxy-4-methyloxepan-2-yl)oxychromen-4-one
CID 89113943
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437
2-(2,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxychromen-4-one
CID 90775853

Frequently Asked Questions

What is the IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one?
The IUPAC name of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one (CID 11645805) is 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one.
What is the SMILES notation for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one?
The canonical SMILES for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one is CC(C)=Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)cc3)oc12.
What is the InChIKey of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one?
The InChIKey is ZYXORAMEXPYWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6/c1-9(2)7-12-13(21)8-14(22)15-16(23)17(24)18(25-19(12)15)10-3-5-11(20)6-4-10/h3-8,20-22,24H,1-2H3.
What are the key properties of 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one?
3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one has a molecular weight of 340.33 g/mol, XLogP of 3.71, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(2-methylprop-1-enyl)chromen-4-one is sourced from PubChem (CID 11645805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).