3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one

C26H24O5 — CID 2022720

IUPAC3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O
InChIInChI=1S/C26H24O5/c1-4-28-22-11-7-8-12-23(22)31-26-18(3)30-24-15-20(13-14-21(24)25(26)27)29-16-19-10-6-5-9-17(19)2/h5-15H,4,16H2,1-3H3
InChIKeySMZCOXIKMZMCCU-UHFFFAOYSA-N
MW416.47 g/mol
LogP6.18
Rot. Bonds7

About 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one

3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one (PubChem CID 2022720) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
PubChem CID2022720
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Name3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O
InChIInChI=1S/C26H24O5/c1-4-28-22-11-7-8-12-23(22)31-26-18(3)30-24-15-20(13-14-21(24)25(26)27)29-16-19-10-6-5-9-17(19)2/h5-15H,4,16H2,1-3H3
InChIKeySMZCOXIKMZMCCU-UHFFFAOYSA-N
XLogP6.18
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[2-methyl-7-[(2-methylphenyl)methoxy]-4-oxochromen-3-yl]oxybenzoate
CID 2005277
benzyl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 3530480
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2000802
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] thiophene-2-carboxylate
CID 2012779
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
4-methyl-7-[(2-methylphenyl)methoxy]chromene-2-thione
CID 11483337
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)-2-methylchromen-4-one
CID 2018267
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
2-(7-ethoxy-2-methyl-4-oxochromen-3-yl)isoindole-1,3-dione
CID 2418812
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one?
The IUPAC name of 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one (CID 2022720) is 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one is CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one?
The InChIKey is SMZCOXIKMZMCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-4-28-22-11-7-8-12-23(22)31-26-18(3)30-24-15-20(13-14-21(24)25(26)27)29-16-19-10-6-5-9-17(19)2/h5-15H,4,16H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one?
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one has a molecular weight of 416.47 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 2022720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).