ethyl 2-(2-oxochromen-4-yl)oxypropanoate

C14H14O5 — CID 5135792

IUPACethyl 2-(2-oxochromen-4-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C14H14O5/c1-3-17-14(16)9(2)18-12-8-13(15)19-11-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChIKeyVUVAYYSXHCBGGD-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.12
Rot. Bonds4

About ethyl 2-(2-oxochromen-4-yl)oxypropanoate

ethyl 2-(2-oxochromen-4-yl)oxypropanoate (PubChem CID 5135792) has the molecular formula C14H14O5 and a molecular weight of 262.26 g/mol. Its IUPAC name is ethyl 2-(2-oxochromen-4-yl)oxypropanoate.

Molecular Properties

Compound Nameethyl 2-(2-oxochromen-4-yl)oxypropanoate
PubChem CID5135792
Molecular FormulaC14H14O5
Molecular Weight262.26 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-(2-oxochromen-4-yl)oxypropanoate
SMILESCCOC(=O)C(C)Oc1cc(=O)oc2ccccc12
InChIInChI=1S/C14H14O5/c1-3-17-14(16)9(2)18-12-8-13(15)19-11-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3
InChIKeyVUVAYYSXHCBGGD-UHFFFAOYSA-N
XLogP2.12
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-oxochromen-4-yl)oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-2-dibenzofuran-4-yloxypropanoate
CID 129404181
4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxychromen-2-one
CID 71462078
4-ethoxychromen-2-one
CID 688703
ethyl (2S)-2-(7-methyl-2-oxo-4-phenylchromen-5-yl)oxypropanoate
CID 982342
(2-oxochromen-4-yl) 2,2-dichloroacetate
CID 119090067
ethyl (2R)-2-[5-[(2R)-1-ethoxy-1-oxopropan-2-yl]oxy-2-oxo-4-phenylchromen-7-yl]oxypropanoate
CID 1232628
3-(2-oxochromen-4-yl)oxypropyl 2-methylbutanoate
CID 164525443
N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
CID 71462077
ethyl 2-[2-(furan-2-yl)-4-oxochromen-3-yl]oxypropanoate
CID 3374835
13-(2-oxochromen-4-yl)oxytridecyl 2-methylbutanoate
CID 171454429
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
2-[2-(2-oxochromen-4-yl)oxyethoxy]ethyl 2-methylpropanoate
CID 167114866

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-oxochromen-4-yl)oxypropanoate?
The IUPAC name of ethyl 2-(2-oxochromen-4-yl)oxypropanoate (CID 5135792) is ethyl 2-(2-oxochromen-4-yl)oxypropanoate.
What is the SMILES notation for ethyl 2-(2-oxochromen-4-yl)oxypropanoate?
The canonical SMILES for ethyl 2-(2-oxochromen-4-yl)oxypropanoate is CCOC(=O)C(C)Oc1cc(=O)oc2ccccc12.
What is the InChIKey of ethyl 2-(2-oxochromen-4-yl)oxypropanoate?
The InChIKey is VUVAYYSXHCBGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O5/c1-3-17-14(16)9(2)18-12-8-13(15)19-11-7-5-4-6-10(11)12/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-oxochromen-4-yl)oxypropanoate?
ethyl 2-(2-oxochromen-4-yl)oxypropanoate has a molecular weight of 262.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-oxochromen-4-yl)oxypropanoate is sourced from PubChem (CID 5135792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).