3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one

C25H24O7 — CID 73331657

IUPAC3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)cc1
InChIInChI=1S/C25H24O7/c1-31-17-9-2-14(3-10-17)4-11-19(27)23-21(29)13-20(28)18-12-22(30)24(32-25(18)23)15-5-7-16(26)8-6-15/h2-3,5-10,13,22,24,26,28-30H,4,11-12H2,1H3
InChIKeyDPHZHJSDHLZESJ-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.66
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one

3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one (PubChem CID 73331657) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one
PubChem CID73331657
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Name3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)cc1
InChIInChI=1S/C25H24O7/c1-31-17-9-2-14(3-10-17)4-11-19(27)23-21(29)13-20(28)18-12-22(30)24(32-25(18)23)15-5-7-16(26)8-6-15/h2-3,5-10,13,22,24,26,28-30H,4,11-12H2,1H3
InChIKeyDPHZHJSDHLZESJ-UHFFFAOYSA-N
XLogP3.66
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,3R)-7-hydroxy-2-(4-hydroxyphenyl)-3-[3-(4-hydroxyphenyl)prop-2-enyl]-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-(4-methoxyphenyl)propan-1-one
CID 163094405
1-[(2S,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3,4-dihydro-2H-chromen-8-yl]-3-phenylpropan-1-one
CID 122179246
3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 23345320
2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 85354014
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one;3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 70232989
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methylphenyl)propan-1-one
CID 14826836
1-[6-hydroxy-3-[3-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]-5-methoxyphenoxy]-2,4-dimethoxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
CID 170221756
1-[4,6-dihydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-7-yl]-3-(4-methoxyphenyl)propan-1-one
CID 162883991
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
5,7-dihydroxy-2-(4-methoxyphenyl)-3-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydrochromen-4-one
CID 45360287
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol;(2R,3R)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 158527508

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one (CID 73331657) is 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one is COc1ccc(CCC(=O)c2c(O)cc(O)c3c2OC(c2ccc(O)cc2)C(O)C3)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one?
The InChIKey is DPHZHJSDHLZESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-31-17-9-2-14(3-10-17)4-11-19(27)23-21(29)13-20(28)18-12-22(30)24(32-25(18)23)15-5-7-16(26)8-6-15/h2-3,5-10,13,22,24,26,28-30H,4,11-12H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one has a molecular weight of 436.46 g/mol, XLogP of 3.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]propan-1-one is sourced from PubChem (CID 73331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).