methyl 2-(2-chloropropanoyloxy)benzoate

C11H11ClO4 — CID 151617516

IUPACmethyl 2-(2-chloropropanoyloxy)benzoate
SMILESCOC(=O)c1ccccc1OC(=O)C(C)Cl
InChIInChI=1S/C11H11ClO4/c1-7(12)10(13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3
InChIKeyQNVDKCFBNOGNCL-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.01
Rot. Bonds3

About methyl 2-(2-chloropropanoyloxy)benzoate

methyl 2-(2-chloropropanoyloxy)benzoate (PubChem CID 151617516) has the molecular formula C11H11ClO4 and a molecular weight of 242.66 g/mol. Its IUPAC name is methyl 2-(2-chloropropanoyloxy)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-chloropropanoyloxy)benzoate
PubChem CID151617516
Molecular FormulaC11H11ClO4
Molecular Weight242.66 g/mol
Exact Mass242.03
IUPAC Namemethyl 2-(2-chloropropanoyloxy)benzoate
SMILESCOC(=O)c1ccccc1OC(=O)C(C)Cl
InChIInChI=1S/C11H11ClO4/c1-7(12)10(13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3
InChIKeyQNVDKCFBNOGNCL-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-butanoyloxybenzoate
CID 836876
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
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methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
ethane;methyl 2-methoxybenzoate
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methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
2-(2-methoxycarbonylphenoxy)propanoic acid
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di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
methyl 2-bromo-3-(2-chloropropanoyl)benzoate
CID 134648539
4-(2-methoxycarbonylphenoxy)-2-methylidene-4-oxobutanoic acid
CID 91321141
methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate
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methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloropropanoyloxy)benzoate?
The IUPAC name of methyl 2-(2-chloropropanoyloxy)benzoate (CID 151617516) is methyl 2-(2-chloropropanoyloxy)benzoate.
What is the SMILES notation for methyl 2-(2-chloropropanoyloxy)benzoate?
The canonical SMILES for methyl 2-(2-chloropropanoyloxy)benzoate is COC(=O)c1ccccc1OC(=O)C(C)Cl.
What is the InChIKey of methyl 2-(2-chloropropanoyloxy)benzoate?
The InChIKey is QNVDKCFBNOGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO4/c1-7(12)10(13)16-9-6-4-3-5-8(9)11(14)15-2/h3-7H,1-2H3.
What are the key properties of methyl 2-(2-chloropropanoyloxy)benzoate?
methyl 2-(2-chloropropanoyloxy)benzoate has a molecular weight of 242.66 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloropropanoyloxy)benzoate is sourced from PubChem (CID 151617516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).