oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate

C27H26O6 — CID 17201593

IUPACoxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C27H26O6/c1-19(32-23-13-9-21(10-14-23)20-6-3-2-4-7-20)26(28)33-24-15-11-22(12-16-24)27(29)31-18-25-8-5-17-30-25/h2-4,6-7,9-16,19,25H,5,8,17-18H2,1H3
InChIKeyQAPQAZFBWLVOLE-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.06
Rot. Bonds8

About oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate

oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate (PubChem CID 17201593) has the molecular formula C27H26O6 and a molecular weight of 446.50 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
PubChem CID17201593
Molecular FormulaC27H26O6
Molecular Weight446.50 g/mol
Exact Mass446.17
IUPAC Nameoxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(C(=O)OCC2CCCO2)cc1
InChIInChI=1S/C27H26O6/c1-19(32-23-13-9-21(10-14-23)20-6-3-2-4-7-20)26(28)33-24-15-11-22(12-16-24)27(29)31-18-25-8-5-17-30-25/h2-4,6-7,9-16,19,25H,5,8,17-18H2,1H3
InChIKeyQAPQAZFBWLVOLE-UHFFFAOYSA-N
XLogP5.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate 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

oxolan-2-ylmethyl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17178851
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17201584
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-nitrobenzoate
CID 17201532
oxolan-2-ylmethyl pyridine-4-carboxylate
CID 533036

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate?
The IUPAC name of oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate (CID 17201593) is oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate.
What is the SMILES notation for oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate?
The canonical SMILES for oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)Oc1ccc(C(=O)OCC2CCCO2)cc1.
What is the InChIKey of oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate?
The InChIKey is QAPQAZFBWLVOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26O6/c1-19(32-23-13-9-21(10-14-23)20-6-3-2-4-7-20)26(28)33-24-15-11-22(12-16-24)27(29)31-18-25-8-5-17-30-25/h2-4,6-7,9-16,19,25H,5,8,17-18H2,1H3.
What are the key properties of oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate?
oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate has a molecular weight of 446.50 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate is sourced from PubChem (CID 17201593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).