[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate

C25H22O5 — CID 17201510

IUPAC[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
SMILESO=C(OCC1CCCO1)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22O5/c26-24(29-17-23-7-4-16-28-23)20-12-14-22(15-13-20)30-25(27)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2
InChIKeyUYKQRBBFBXDURI-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.91
Rot. Bonds6

About [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate

[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate (PubChem CID 17201510) has the molecular formula C25H22O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate.

Molecular Properties

Compound Name[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
PubChem CID17201510
Molecular FormulaC25H22O5
Molecular Weight402.45 g/mol
Exact Mass402.15
IUPAC Name[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
SMILESO=C(OCC1CCCO1)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H22O5/c26-24(29-17-23-7-4-16-28-23)20-12-14-22(15-13-20)30-25(27)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2
InChIKeyUYKQRBBFBXDURI-UHFFFAOYSA-N
XLogP4.91
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethyl 4-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17201593
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-(2-methylpropoxy)benzoate
CID 17201584
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-pentoxybenzoate
CID 17201582
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-nitrobenzoate
CID 17201532
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
oxolan-2-ylmethyl 4-aminobenzoate
CID 21240891
oxolan-2-ylmethyl 3-[2-(4-phenylphenoxy)propanoyloxy]benzoate
CID 17178851
(4-phenylphenyl) 4-(oxiran-2-ylmethoxy)benzoate
CID 100970977
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890

Frequently Asked Questions

What is the IUPAC name of [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate?
The IUPAC name of [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate (CID 17201510) is [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate.
What is the SMILES notation for [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate?
The canonical SMILES for [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate is O=C(OCC1CCCO1)c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate?
The InChIKey is UYKQRBBFBXDURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O5/c26-24(29-17-23-7-4-16-28-23)20-12-14-22(15-13-20)30-25(27)21-10-8-19(9-11-21)18-5-2-1-3-6-18/h1-3,5-6,8-15,23H,4,7,16-17H2.
What are the key properties of [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate?
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate has a molecular weight of 402.45 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate is sourced from PubChem (CID 17201510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).