7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one

C24H22O6 — CID 134458176

IUPAC7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one
SMILESCCOc1cc(O)c2c(c1)OC(O)(c1ccc(OCc3ccccc3)cc1)CC2=O
InChIInChI=1S/C24H22O6/c1-2-28-19-12-20(25)23-21(26)14-24(27,30-22(23)13-19)17-8-10-18(11-9-17)29-15-16-6-4-3-5-7-16/h3-13,25,27H,2,14-15H2,1H3
InChIKeyMJKULLNEPVPVDA-UHFFFAOYSA-N
MW406.43 g/mol
LogP4.18
Rot. Bonds6

About 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one

7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one (PubChem CID 134458176) has the molecular formula C24H22O6 and a molecular weight of 406.43 g/mol. Its IUPAC name is 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one.

Molecular Properties

Compound Name7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one
PubChem CID134458176
Molecular FormulaC24H22O6
Molecular Weight406.43 g/mol
Exact Mass406.14
IUPAC Name7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one
SMILESCCOc1cc(O)c2c(c1)OC(O)(c1ccc(OCc3ccccc3)cc1)CC2=O
InChIInChI=1S/C24H22O6/c1-2-28-19-12-20(25)23-21(26)14-24(27,30-22(23)13-19)17-8-10-18(11-9-17)29-15-16-6-4-3-5-7-16/h3-13,25,27H,2,14-15H2,1H3
InChIKeyMJKULLNEPVPVDA-UHFFFAOYSA-N
XLogP4.18
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-7-phenylmethoxy-2-(4-phenylmethoxyphenyl)-2,3-dihydrochromen-4-one
CID 54587409
5-hydroxy-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 134964342
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
6-methyl-6-(4-phenylmethoxyphenyl)oxane-2,5-dione
CID 15054377
1-(4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 130577384
3-(4-ethylphenyl)-3-(4-phenylmethoxyphenyl)cyclobutan-1-one
CID 58095577
(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
CID 102062188
(2S,5R)-2-(4-phenylmethoxyphenyl)-5-propyloxan-2-ol
CID 124514523
1-[1-(4-phenylmethoxyphenyl)cyclopropyl]ethanone
CID 59016188
(5S)-5-hydroxy-3,5-dimethyl-4-(2-methyl-4-phenylmethoxyphenyl)furan-2-one
CID 129388277
9-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3,3-dimethyl-6-phenylmethoxy-4,9-dihydro-2H-xanthen-1-one
CID 139922828
(4R)-18-hydroxy-4-methyl-16-phenylmethoxy-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-2-one
CID 134918957

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one?
The IUPAC name of 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one (CID 134458176) is 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one.
What is the SMILES notation for 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one?
The canonical SMILES for 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one is CCOc1cc(O)c2c(c1)OC(O)(c1ccc(OCc3ccccc3)cc1)CC2=O.
What is the InChIKey of 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one?
The InChIKey is MJKULLNEPVPVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6/c1-2-28-19-12-20(25)23-21(26)14-24(27,30-22(23)13-19)17-8-10-18(11-9-17)29-15-16-6-4-3-5-7-16/h3-13,25,27H,2,14-15H2,1H3.
What are the key properties of 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one?
7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one has a molecular weight of 406.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,5-dihydroxy-2-(4-phenylmethoxyphenyl)-3H-chromen-4-one is sourced from PubChem (CID 134458176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).