(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate

C21H20O5 — CID 7750798

IUPAC(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3C)ccc12
InChIInChI=1S/C21H20O5/c1-3-6-15-11-20(22)26-19-12-16(9-10-17(15)19)25-21(23)13-24-18-8-5-4-7-14(18)2/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyNGPARLJOJAJCBC-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.04
Rot. Bonds6

About (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate

(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate (PubChem CID 7750798) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
PubChem CID7750798
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate
SMILESCCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3C)ccc12
InChIInChI=1S/C21H20O5/c1-3-6-15-11-20(22)26-19-12-16(9-10-17(15)19)25-21(23)13-24-18-8-5-4-7-14(18)2/h4-5,7-12H,3,6,13H2,1-2H3
InChIKeyNGPARLJOJAJCBC-UHFFFAOYSA-N
XLogP4.04
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-4-propylchromen-7-yl) 2-(2-methoxyphenoxy)acetate
CID 7923747
(2-oxochromen-7-yl) 2-(2-methylphenoxy)acetate
CID 7920974
(4-methyl-2-oxochromen-7-yl) 2-(2-chlorophenoxy)acetate
CID 3293400
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
7-[(2-methylnaphthalen-1-yl)methoxy]-4-propylchromen-2-one
CID 23763929
(4-methyl-2-oxochromen-7-yl) 2-(2-methyl-5-propan-2-ylphenoxy)acetate
CID 7961684
(2-oxo-4-propylchromen-7-yl) 2-(phenylmethoxycarbonylamino)pentanoate
CID 3745168
(3,4-dimethylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9097338

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate (CID 7750798) is (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate is CCCc1cc(=O)oc2cc(OC(=O)COc3ccccc3C)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate?
The InChIKey is NGPARLJOJAJCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O5/c1-3-6-15-11-20(22)26-19-12-16(9-10-17(15)19)25-21(23)13-24-18-8-5-4-7-14(18)2/h4-5,7-12H,3,6,13H2,1-2H3.
What are the key properties of (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate?
(2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 7750798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).