ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate

C14H16O5 — CID 101462180

IUPACethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate
SMILESCCOC(=O)C1CC(C(O)c2ccccc2)OC1=O
InChIInChI=1S/C14H16O5/c1-2-18-13(16)10-8-11(19-14(10)17)12(15)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3
InChIKeyUCXODXYRGINHNV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.21
Rot. Bonds4

About ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate

ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate (PubChem CID 101462180) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate
PubChem CID101462180
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate
SMILESCCOC(=O)C1CC(C(O)c2ccccc2)OC1=O
InChIInChI=1S/C14H16O5/c1-2-18-13(16)10-8-11(19-14(10)17)12(15)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3
InChIKeyUCXODXYRGINHNV-UHFFFAOYSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate 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 (5S)-5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl]-2-oxooxolane-3-carboxylate
CID 10970865
ethyl (2S,3R)-3-[(R)-hydroxy(phenyl)methyl]oxirane-2-carboxylate
CID 11481451
ethyl (2R,3S)-3-[(S)-hydroxy(phenyl)methyl]oxirane-2-carboxylate
CID 101423179
diethyl (6R,8S)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulene-6,8-dicarboxylate
CID 92522808
ethyl (2S)-2-methyl-5-oxo-1-[(1R)-1-phenylethyl]piperidine-4-carboxylate
CID 91054590
ethyl 2-chloro-3,4-dihydro-2H-chromene-4-carboxylate
CID 141272617
cis-diethyl (1R,3S)-4-oxo-5-phenyliminocyclopentane-1,3-dicarboxylate
CID 92529663
trans-2-O-ethyl 1-O-phenyl (1R,2R)-cyclopropane-1,2-dicarboxylate
CID 101070997
ethyl (5S)-5-[(4-fluorophenoxy)methyl]-2-oxooxolane-3-carboxylate
CID 11482939
ethyl 3-benzoyl-2-oxocyclopentane-1-carboxylate
CID 22897624
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
ethyl 2-methyl-5-(1-phenylethyl)-3,4-dihydropyrazole-4-carboxylate
CID 146474739

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate?
The IUPAC name of ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate (CID 101462180) is ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate.
What is the SMILES notation for ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate?
The canonical SMILES for ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate is CCOC(=O)C1CC(C(O)c2ccccc2)OC1=O.
What is the InChIKey of ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate?
The InChIKey is UCXODXYRGINHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-2-18-13(16)10-8-11(19-14(10)17)12(15)9-6-4-3-5-7-9/h3-7,10-12,15H,2,8H2,1H3.
What are the key properties of ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate?
ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[hydroxy(phenyl)methyl]-2-oxooxolane-3-carboxylate is sourced from PubChem (CID 101462180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).