[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate

C11H10O5 — CID 125491560

IUPAC[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@H]2COC(=O)O2)cc1
InChIInChI=1S/C11H10O5/c1-7(12)15-9-4-2-8(3-5-9)10-6-14-11(13)16-10/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyIILQVHVDBDWYKU-SNVBAGLBSA-N
MW222.20 g/mol
LogP1.82
Rot. Bonds2

About [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate

[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate (PubChem CID 125491560) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate
PubChem CID125491560
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc([C@H]2COC(=O)O2)cc1
InChIInChI=1S/C11H10O5/c1-7(12)15-9-4-2-8(3-5-9)10-6-14-11(13)16-10/h2-5,10H,6H2,1H3/t10-/m1/s1
InChIKeyIILQVHVDBDWYKU-SNVBAGLBSA-N
XLogP1.82
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate 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

[4-(oxiran-2-yl)phenyl] acetate
CID 10921072
4-[4-(2-oxo-1,3-dioxolan-4-yl)phenyl]-1,3-dioxolan-2-one
CID 118347041
4-phenyl-1,3-dioxolan-2-one
CID 160714565
[4-[(3S)-2,5-dioxooxolan-3-yl]phenyl] acetate
CID 98078095
[4-(5-acetyloxy-7-methyl-4-oxo-2,3-dihydrochromen-2-yl)phenyl] acetate
CID 58051768
[4-(2,6-dioxooxan-3-yl)phenyl] acetate
CID 88789731
[(2R)-2-(4-tert-butylphenyl)-4-oxo-2,3-dihydrochromen-6-yl] acetate
CID 70138273
[4-[(4S)-5,5-difluoro-2-oxo-1,3-oxazinan-4-yl]phenyl] acetate
CID 171186983
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
[4-(3-acetyl-5-pyridin-4-yl-2H-1,3,4-oxadiazol-2-yl)phenyl] acetate
CID 71525299
5-(4-methoxyphenyl)-2-propan-2-ylideneoxolan-3-one
CID 23250319
(4-oxo-2,3-dihydrochromen-7-yl) acetate
CID 3498336

Frequently Asked Questions

What is the IUPAC name of [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate?
The IUPAC name of [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate (CID 125491560) is [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate.
What is the SMILES notation for [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate?
The canonical SMILES for [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate is CC(=O)Oc1ccc([C@H]2COC(=O)O2)cc1.
What is the InChIKey of [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate?
The InChIKey is IILQVHVDBDWYKU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10O5/c1-7(12)15-9-4-2-8(3-5-9)10-6-14-11(13)16-10/h2-5,10H,6H2,1H3/t10-/m1/s1.
What are the key properties of [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate?
[4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate has a molecular weight of 222.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4S)-2-oxo-1,3-dioxolan-4-yl]phenyl] acetate is sourced from PubChem (CID 125491560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).