5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one

C26H24O5 — CID 163355407

IUPAC5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCc4ccc(C(C)C)cc4)cc(O)c3c2=O)cc1
InChIInChI=1S/C26H24O5/c1-16(2)18-6-4-17(5-7-18)14-30-21-12-23(27)25-24(13-21)31-15-22(26(25)28)19-8-10-20(29-3)11-9-19/h4-13,15-16,27H,14H2,1-3H3
InChIKeyHGMZGSKRNNBIMD-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.88
Rot. Bonds6

About 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one

5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one (PubChem CID 163355407) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
PubChem CID163355407
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one
SMILESCOc1ccc(-c2coc3cc(OCc4ccc(C(C)C)cc4)cc(O)c3c2=O)cc1
InChIInChI=1S/C26H24O5/c1-16(2)18-6-4-17(5-7-18)14-30-21-12-23(27)25-24(13-21)31-15-22(26(25)28)19-8-10-20(29-3)11-9-19/h4-13,15-16,27H,14H2,1-3H3
InChIKeyHGMZGSKRNNBIMD-UHFFFAOYSA-N
XLogP5.88
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,7-dimethylocta-2,6-dienoxy)-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
CID 163053489
5-hydroxy-3-(4-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]chromen-4-one
CID 163355414
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-ethyl-N-methylcarbamate
CID 71664178
3-(4-bromophenyl)-7-ethoxy-5-hydroxychromen-4-one
CID 154926299
[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl] N-(2-bromoethyl)carbamate
CID 70687672
7-[tert-butyl(dimethyl)silyl]oxy-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-5-hydroxychromen-4-one
CID 11271963
2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-N-(oxan-4-ylmethyl)acetamide
CID 171340353
3-[4-(4-bromobutoxy)phenyl]-5-hydroxy-7-(methoxymethoxy)chromen-4-one
CID 141260005
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 7067374
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
CID 90064063
N-[(2-fluorophenyl)methyl]-2-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyacetamide
CID 171324386
tert-butyl 2-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate
CID 67521570

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one?
The IUPAC name of 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one (CID 163355407) is 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one is COc1ccc(-c2coc3cc(OCc4ccc(C(C)C)cc4)cc(O)c3c2=O)cc1.
What is the InChIKey of 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one?
The InChIKey is HGMZGSKRNNBIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-16(2)18-6-4-17(5-7-18)14-30-21-12-23(27)25-24(13-21)31-15-22(26(25)28)19-8-10-20(29-3)11-9-19/h4-13,15-16,27H,14H2,1-3H3.
What are the key properties of 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one?
5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one has a molecular weight of 416.47 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(4-methoxyphenyl)-7-[(4-propan-2-ylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 163355407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).