(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate

C22H22O5 — CID 7524489

IUPAC(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C22H22O5/c1-3-25-19-7-5-4-6-16(19)9-11-21(23)26-14-17-13-22(24)27-20-12-15(2)8-10-18(17)20/h4-8,10,12-13H,3,9,11,14H2,1-2H3
InChIKeyCWPRSRYKHPFGAD-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.18
Rot. Bonds7

About (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate

(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate (PubChem CID 7524489) has the molecular formula C22H22O5 and a molecular weight of 366.41 g/mol. Its IUPAC name is (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate.

Molecular Properties

Compound Name(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
PubChem CID7524489
Molecular FormulaC22H22O5
Molecular Weight366.41 g/mol
Exact Mass366.15
IUPAC Name(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate
SMILESCCOc1ccccc1CCC(=O)OCc1cc(=O)oc2cc(C)ccc12
InChIInChI=1S/C22H22O5/c1-3-25-19-7-5-4-6-16(19)9-11-21(23)26-14-17-13-22(24)27-20-12-15(2)8-10-18(17)20/h4-8,10,12-13H,3,9,11,14H2,1-2H3
InChIKeyCWPRSRYKHPFGAD-UHFFFAOYSA-N
XLogP4.18
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(7-methyl-2-oxochromen-4-yl)methyl 2-(2-ethoxyphenoxy)acetate
CID 7844520
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-cyanophenoxy)acetate
CID 5172794
N-(2-ethoxyphenyl)-2-(7-methyl-2-oxochromen-4-yl)acetamide
CID 41180282
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-nitrophenyl)acetate
CID 3310308
4-[(2-acetylphenoxy)methyl]-7-methylchromen-2-one
CID 7859252
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
(7-methyl-2-oxochromen-4-yl)methyl 2-ethoxypyridine-3-carboxylate
CID 2630298
(7-methyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4236785
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(2-ethoxyphenoxy)butanoate
CID 7147642
(7-ethyl-2-oxochromen-4-yl)methyl 3-(2-methoxyphenoxy)propanoate
CID 18228106
4-ethoxy-7-methylchromen-2-one
CID 688944
(7-methyl-2-oxochromen-4-yl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235435

Frequently Asked Questions

What is the IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The IUPAC name of (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate (CID 7524489) is (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate.
What is the SMILES notation for (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The canonical SMILES for (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate is CCOc1ccccc1CCC(=O)OCc1cc(=O)oc2cc(C)ccc12.
What is the InChIKey of (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate?
The InChIKey is CWPRSRYKHPFGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O5/c1-3-25-19-7-5-4-6-16(19)9-11-21(23)26-14-17-13-22(24)27-20-12-15(2)8-10-18(17)20/h4-8,10,12-13H,3,9,11,14H2,1-2H3.
What are the key properties of (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate?
(7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate has a molecular weight of 366.41 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-2-oxochromen-4-yl)methyl 3-(2-ethoxyphenyl)propanoate is sourced from PubChem (CID 7524489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).