1-acetyloxyethyl 2-chlorobenzoate

C11H11ClO4 — CID 122391489

IUPAC1-acetyloxyethyl 2-chlorobenzoate
SMILESCC(=O)OC(C)OC(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClO4/c1-7(13)15-8(2)16-11(14)9-5-3-4-6-10(9)12/h3-6,8H,1-2H3
InChIKeyBGZHRQVRJOZQFG-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.41
Rot. Bonds3

About 1-acetyloxyethyl 2-chlorobenzoate

1-acetyloxyethyl 2-chlorobenzoate (PubChem CID 122391489) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-acetyloxyethyl 2-chlorobenzoate.

Molecular Properties

Compound Name1-acetyloxyethyl 2-chlorobenzoate
PubChem CID122391489
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Name1-acetyloxyethyl 2-chlorobenzoate
SMILESCC(=O)OC(C)OC(=O)c1ccccc1Cl
InChIInChI=1S/C11H11ClO4/c1-7(13)15-8(2)16-11(14)9-5-3-4-6-10(9)12/h3-6,8H,1-2H3
InChIKeyBGZHRQVRJOZQFG-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-acetyloxyethyl 2-chlorobenzoate 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

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412
[(2S)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 2-chlorobenzoate
CID 6937715
1-pyrrolidin-1-ium-1-ylpropan-2-yl 2-chlorobenzoate
CID 4139251
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
pentadecan-6-yl 2-chlorobenzoate
CID 531611
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581
[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-chlorobenzoate
CID 6937718
[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
1-(2-chlorophenyl)-2-hydroxypropan-1-one
CID 11830112

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl 2-chlorobenzoate?
The IUPAC name of 1-acetyloxyethyl 2-chlorobenzoate (CID 122391489) is 1-acetyloxyethyl 2-chlorobenzoate.
What is the SMILES notation for 1-acetyloxyethyl 2-chlorobenzoate?
The canonical SMILES for 1-acetyloxyethyl 2-chlorobenzoate is CC(=O)OC(C)OC(=O)c1ccccc1Cl.
What is the InChIKey of 1-acetyloxyethyl 2-chlorobenzoate?
The InChIKey is BGZHRQVRJOZQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c1-7(13)15-8(2)16-11(14)9-5-3-4-6-10(9)12/h3-6,8H,1-2H3.
What are the key properties of 1-acetyloxyethyl 2-chlorobenzoate?
1-acetyloxyethyl 2-chlorobenzoate has a molecular weight of 242.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl 2-chlorobenzoate is sourced from PubChem (CID 122391489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).