(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate

C20H20O5 — CID 27147014

IUPAC(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESCC(=O)c1ccc(OC(=O)c2ccccc2OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H20O5/c1-14(21)15-8-10-16(11-9-15)25-20(22)18-6-2-3-7-19(18)24-13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-13H2,1H3/t17-/m1/s1
InChIKeyPTPZTLAALTZGIK-QGZVFWFLSA-N
MW340.38 g/mol
LogP3.67
Rot. Bonds6

About (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate

(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate (PubChem CID 27147014) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
PubChem CID27147014
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate
SMILESCC(=O)c1ccc(OC(=O)c2ccccc2OC[C@H]2CCCO2)cc1
InChIInChI=1S/C20H20O5/c1-14(21)15-8-10-16(11-9-15)25-20(22)18-6-2-3-7-19(18)24-13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-13H2,1H3/t17-/m1/s1
InChIKeyPTPZTLAALTZGIK-QGZVFWFLSA-N
XLogP3.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.67
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

2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739
[4-[[(2R)-oxolan-2-yl]methoxycarbonyl]phenyl] 2-fluorobenzoate
CID 26256561
(4-methoxycarbonylphenyl) 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 2677890
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 2113657
(7-fluoro-1-methyl-3-oxo-1,2-dihydroinden-4-yl) 2-(oxolan-2-ylmethoxy)benzoate
CID 24535197
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
(NZ)-N-[1-[2-(oxolan-2-ylmethoxy)phenyl]propylidene]hydroxylamine
CID 55023414
[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17201510
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The IUPAC name of (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate (CID 27147014) is (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate.
What is the SMILES notation for (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The canonical SMILES for (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate is CC(=O)c1ccc(OC(=O)c2ccccc2OC[C@H]2CCCO2)cc1.
What is the InChIKey of (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate?
The InChIKey is PTPZTLAALTZGIK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20O5/c1-14(21)15-8-10-16(11-9-15)25-20(22)18-6-2-3-7-19(18)24-13-17-5-4-12-23-17/h2-3,6-11,17H,4-5,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate?
(4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate has a molecular weight of 340.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-[[(2R)-oxolan-2-yl]methoxy]benzoate is sourced from PubChem (CID 27147014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).