5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one

C21H22O5 — CID 174788047

IUPAC5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
SMILESCCOc1ccc(-c2cc(=O)c3c(OCC)cc(OCC)cc3o2)cc1
InChIInChI=1S/C21H22O5/c1-4-23-15-9-7-14(8-10-15)18-13-17(22)21-19(25-6-3)11-16(24-5-2)12-20(21)26-18/h7-13H,4-6H2,1-3H3
InChIKeyCNIDYNUNQKUNAW-UHFFFAOYSA-N
MW354.40 g/mol
LogP4.66
Rot. Bonds7

About 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one

5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one (PubChem CID 174788047) has the molecular formula C21H22O5 and a molecular weight of 354.40 g/mol. Its IUPAC name is 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
PubChem CID174788047
Molecular FormulaC21H22O5
Molecular Weight354.40 g/mol
Exact Mass354.15
IUPAC Name5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
SMILESCCOc1ccc(-c2cc(=O)c3c(OCC)cc(OCC)cc3o2)cc1
InChIInChI=1S/C21H22O5/c1-4-23-15-9-7-14(8-10-15)18-13-17(22)21-19(25-6-3)11-16(24-5-2)12-20(21)26-18/h7-13H,4-6H2,1-3H3
InChIKeyCNIDYNUNQKUNAW-UHFFFAOYSA-N
XLogP4.66
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
7-ethoxy-5-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 72703441
5,7-bis(2-ethoxyethoxy)-2-phenylchromen-4-one
CID 141482087
2-(3,4-dihydroxyphenyl)-5-ethoxy-7-hydroxychromen-4-one
CID 44610309
5,7-dipropoxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
CID 10476419
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
CID 90681219
7-hexoxy-2-(4-hexoxyphenyl)-5-hydroxychromen-4-one
CID 132568297
5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
2-[5-(carboxymethoxy)-2-[3-(carboxymethoxy)-4-methoxyphenyl]-4-oxochromen-7-yl]oxyacetic acid
CID 67582589
5-hydroxy-7-(3-methylbut-2-enoxy)-2-[4-(3-methylbut-2-enoxy)phenyl]chromen-4-one
CID 131859007
ethyl 2-[2-(4-methoxyphenyl)-4-oxo-7-prop-2-enoxychromen-5-yl]oxyacetate;2H-oxete
CID 67583945

Frequently Asked Questions

What is the IUPAC name of 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one (CID 174788047) is 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one is CCOc1ccc(-c2cc(=O)c3c(OCC)cc(OCC)cc3o2)cc1.
What is the InChIKey of 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one?
The InChIKey is CNIDYNUNQKUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O5/c1-4-23-15-9-7-14(8-10-15)18-13-17(22)21-19(25-6-3)11-16(24-5-2)12-20(21)26-18/h7-13H,4-6H2,1-3H3.
What are the key properties of 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one?
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one has a molecular weight of 354.40 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one is sourced from PubChem (CID 174788047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).