propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate

C23H24O7 — CID 2000802

IUPACpropan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)OC(C)C)ccc2c1=O
InChIInChI=1S/C23H24O7/c1-5-26-18-8-6-7-9-19(18)30-23-15(4)29-20-12-16(10-11-17(20)22(23)25)27-13-21(24)28-14(2)3/h6-12,14H,5,13H2,1-4H3
InChIKeyZIIXUHQMGWSBIR-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.62
Rot. Bonds8

About propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate

propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate (PubChem CID 2000802) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
PubChem CID2000802
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Namepropan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
SMILESCCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)OC(C)C)ccc2c1=O
InChIInChI=1S/C23H24O7/c1-5-26-18-8-6-7-9-19(18)30-23-15(4)29-20-12-16(10-11-17(20)22(23)25)27-13-21(24)28-14(2)3/h6-12,14H,5,13H2,1-4H3
InChIKeyZIIXUHQMGWSBIR-UHFFFAOYSA-N
XLogP4.62
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 2-[3-(2-bromophenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 2005129
benzyl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 3530480
3-(2-ethoxyphenoxy)-2-methyl-7-[(2-methylphenyl)methoxy]chromen-4-one
CID 2022720
[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl] thiophene-2-carboxylate
CID 2012779
propan-2-yl 2-(6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 701972
propan-2-yl 2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetate
CID 882841
propan-2-yl 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2788108
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
ethyl 2-[3-(2-methoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxy-2-phenylacetate
CID 2938832
methyl 2-[3-(2-ethoxyphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl]oxypropanoate
CID 110275221
N-[(2R)-2-hydroxypropyl]-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxyacetamide
CID 41111264
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The IUPAC name of propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate (CID 2000802) is propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate.
What is the SMILES notation for propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The canonical SMILES for propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate is CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)OC(C)C)ccc2c1=O.
What is the InChIKey of propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate?
The InChIKey is ZIIXUHQMGWSBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O7/c1-5-26-18-8-6-7-9-19(18)30-23-15(4)29-20-12-16(10-11-17(20)22(23)25)27-13-21(24)28-14(2)3/h6-12,14H,5,13H2,1-4H3.
What are the key properties of propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate?
propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate has a molecular weight of 412.44 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(2-ethoxyphenoxy)-2-methyl-4-oxochromen-7-yl]oxyacetate is sourced from PubChem (CID 2000802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).