5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one

C19H18O5 — CID 135200514

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one
SMILESCC(C)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12
InChIInChI=1S/C19H18O5/c1-10(2)7-13-15(21)8-16(22)17-18(23)14(9-24-19(13)17)11-3-5-12(20)6-4-11/h3-6,8-10,20-22H,7H2,1-2H3
InChIKeyMGMPSADLSUBHQF-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.78
Rot. Bonds3

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one (PubChem CID 135200514) has the molecular formula C19H18O5 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one
PubChem CID135200514
Molecular FormulaC19H18O5
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one
SMILESCC(C)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12
InChIInChI=1S/C19H18O5/c1-10(2)7-13-15(21)8-16(22)17-18(23)14(9-24-19(13)17)11-3-5-12(20)6-4-11/h3-6,8-10,20-22H,7H2,1-2H3
InChIKeyMGMPSADLSUBHQF-UHFFFAOYSA-N
XLogP3.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-carboxyethyl]-[[3-(4-fluorophenyl)-5,7-dihydroxy-4-oxochromen-8-yl]methyl]azanium;2,2,2-trifluoroacetate
CID 44655254
5-hydroxy-3-(4-hydroxyphenyl)-10-propan-2-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71825881
5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-8-(4-hydroxy-3-methylbut-2-enyl)chromen-4-one
CID 162895992
8-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]-5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
CID 162928598
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
CID 26495997
CID 66722646
CID 66722646
2-[5-hydroxy-3-(4-hydroxyphenyl)-8-(4-methoxyphenyl)-4-oxofuro[2,3-h]chromen-9-yl]acetic acid
CID 135638908
calcium;5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one;hydride
CID 173012040
8-(aminomethyl)-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 142974313
3-(4-aminophenyl)-5,7-dihydroxy-8-methoxychromen-4-one
CID 70652570
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 54291494
8-[(dimethylamino)methyl]-5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
CID 11739803

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one (CID 135200514) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one is CC(C)Cc1c(O)cc(O)c2c(=O)c(-c3ccc(O)cc3)coc12.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one?
The InChIKey is MGMPSADLSUBHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5/c1-10(2)7-13-15(21)8-16(22)17-18(23)14(9-24-19(13)17)11-3-5-12(20)6-4-11/h3-6,8-10,20-22H,7H2,1-2H3.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(2-methylpropyl)chromen-4-one is sourced from PubChem (CID 135200514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).