5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one

C20H18O7 — CID 5378766

IUPAC5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one
SMILESCC(C)(O)C1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1
InChIInChI=1S/C20H18O7/c1-20(2,25)16-7-11-13(22)4-3-10(19(11)27-16)12-8-26-15-6-9(21)5-14(23)17(15)18(12)24/h3-6,8,16,21-23,25H,7H2,1-2H3
InChIKeyONQRNGWXVWFLDX-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.65
Rot. Bonds2

About 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one

5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one (PubChem CID 5378766) has the molecular formula C20H18O7 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one
PubChem CID5378766
Molecular FormulaC20H18O7
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one
SMILESCC(C)(O)C1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1
InChIInChI=1S/C20H18O7/c1-20(2,25)16-7-11-13(22)4-3-10(19(11)27-16)12-8-26-15-6-9(21)5-14(23)17(15)18(12)24/h3-6,8,16,21-23,25H,7H2,1-2H3
InChIKeyONQRNGWXVWFLDX-UHFFFAOYSA-N
XLogP2.65
TPSA120.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
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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Related Compounds

5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-6-(3-methylbut-2-enyl)chromen-4-one
CID 14237664
3-(2,4-dihydroxy-3-methoxyphenyl)-5,7-dihydroxychromen-4-one
CID 46879792
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
CID 5413046
3-(3-chloro-4-hydroxyphenyl)-5,7-dihydroxychromen-4-one
CID 90876444
3-(4-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5398360
(2S)-4-hydroxy-6-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
CID 163014265
CID 66722646
CID 66722646
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
(6S)-9-hydroxy-6-(2-hydroxypropan-2-yl)-3,11-dimethoxy-6,7-dihydrochromeno[3,2-d][1]benzoxepin-8-one
CID 162397225
5,7-dihydroxy-3-(5-hydroxy-2,4-dimethoxyphenyl)chromen-4-one
CID 71459473
3-[(3R)-3,5-dihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]-5,7-dihydroxychromen-4-one
CID 162959961
7-(2,4-dihydroxyphenyl)-3,5-dihydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 632833

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one (CID 5378766) is 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one is CC(C)(O)C1Cc2c(O)ccc(-c3coc4cc(O)cc(O)c4c3=O)c2O1.
What is the InChIKey of 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one?
The InChIKey is ONQRNGWXVWFLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O7/c1-20(2,25)16-7-11-13(22)4-3-10(19(11)27-16)12-8-26-15-6-9(21)5-14(23)17(15)18(12)24/h3-6,8,16,21-23,25H,7H2,1-2H3.
What are the key properties of 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one?
5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one has a molecular weight of 370.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-[4-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-7-yl]chromen-4-one is sourced from PubChem (CID 5378766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).