2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid

C15H16O5 — CID 662287

IUPAC2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12
InChIInChI=1S/C15H16O5/c1-3-4-10-7-14(18)20-12-6-9(2)5-11(15(10)12)19-8-13(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyHSQSPJMPCZQXMR-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.52
Rot. Bonds5

About 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid

2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid (PubChem CID 662287) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
PubChem CID662287
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid
SMILESCCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12
InChIInChI=1S/C15H16O5/c1-3-4-10-7-14(18)20-12-6-9(2)5-11(15(10)12)19-8-13(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17)
InChIKeyHSQSPJMPCZQXMR-UHFFFAOYSA-N
XLogP2.52
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetyl]amino]hexanoic acid
CID 3378282
7-methyl-5-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 933118
7-methyl-4-propyl-5-(2H-tetrazol-5-ylmethoxy)chromen-2-one
CID 664968
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxy-N-(2-morpholin-4-ylethyl)acetamide
CID 4906700
2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]propanoic acid
CID 3664519
3-methyl-2-[2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoylamino]butanoic acid
CID 71949437
4-ethyl-5-[2-(3-hydroxyazetidin-1-yl)-2-oxoethoxy]-7-methylchromen-2-one
CID 171915504
4-butyl-7-methyl-5-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-2-one
CID 2207304
2-[5-(carboxymethoxy)-4-methyl-2-oxochromen-7-yl]oxyacetic acid
CID 677583
2-[[2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 4562834
N-(2-hydroxy-2-phenylethyl)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanamide
CID 4911162
7-methyl-5-(1,4-oxazepan-6-ylmethoxy)-4-propylchromen-2-one;hydrochloride
CID 172897075

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid?
The IUPAC name of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid (CID 662287) is 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid.
What is the SMILES notation for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid?
The canonical SMILES for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid is CCCc1cc(=O)oc2cc(C)cc(OCC(=O)O)c12.
What is the InChIKey of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid?
The InChIKey is HSQSPJMPCZQXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-4-10-7-14(18)20-12-6-9(2)5-11(15(10)12)19-8-13(16)17/h5-7H,3-4,8H2,1-2H3,(H,16,17).
What are the key properties of 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid?
2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid has a molecular weight of 276.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxyacetic acid is sourced from PubChem (CID 662287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).