methyl 2-chloro-3-prop-2-enylbenzoate

C11H11ClO2 — CID 174461758

IUPACmethyl 2-chloro-3-prop-2-enylbenzoate
SMILESC=CCc1cccc(C(=O)OC)c1Cl
InChIInChI=1S/C11H11ClO2/c1-3-5-8-6-4-7-9(10(8)12)11(13)14-2/h3-4,6-7H,1,5H2,2H3
InChIKeyGHPRESUSKBUHPM-UHFFFAOYSA-N
MW210.66 g/mol
LogP2.86
Rot. Bonds3

About methyl 2-chloro-3-prop-2-enylbenzoate

methyl 2-chloro-3-prop-2-enylbenzoate (PubChem CID 174461758) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is methyl 2-chloro-3-prop-2-enylbenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-prop-2-enylbenzoate
PubChem CID174461758
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Namemethyl 2-chloro-3-prop-2-enylbenzoate
SMILESC=CCc1cccc(C(=O)OC)c1Cl
InChIInChI=1S/C11H11ClO2/c1-3-5-8-6-4-7-9(10(8)12)11(13)14-2/h3-4,6-7H,1,5H2,2H3
InChIKeyGHPRESUSKBUHPM-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-3-(3-methoxy-3-oxopropyl)benzoate
CID 134648997
dimethyl 2-prop-2-enylbenzene-1,4-dicarboxylate
CID 69498323
ethyl 2-hydroxy-3-prop-2-enylbenzoate
CID 71331435
methyl 2-chloro-3-(difluoromethylsulfonylmethyl)benzoate
CID 166266782
methyl 4-hydroxy-2-prop-2-enylbenzoate
CID 175570133
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 2-fluoro-3-(2-oxo-2-prop-2-enoxyethyl)benzoate
CID 58345874
methyl 4-oxo-4-(2-prop-2-enylphenyl)butanoate
CID 10331498
1-[2,3-bis(prop-2-enyl)phenyl]ethanone
CID 173386054
2,3-bis(prop-2-enyl)benzoyl chloride
CID 87350245

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-prop-2-enylbenzoate?
The IUPAC name of methyl 2-chloro-3-prop-2-enylbenzoate (CID 174461758) is methyl 2-chloro-3-prop-2-enylbenzoate.
What is the SMILES notation for methyl 2-chloro-3-prop-2-enylbenzoate?
The canonical SMILES for methyl 2-chloro-3-prop-2-enylbenzoate is C=CCc1cccc(C(=O)OC)c1Cl.
What is the InChIKey of methyl 2-chloro-3-prop-2-enylbenzoate?
The InChIKey is GHPRESUSKBUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-3-5-8-6-4-7-9(10(8)12)11(13)14-2/h3-4,6-7H,1,5H2,2H3.
What are the key properties of methyl 2-chloro-3-prop-2-enylbenzoate?
methyl 2-chloro-3-prop-2-enylbenzoate has a molecular weight of 210.66 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-prop-2-enylbenzoate is sourced from PubChem (CID 174461758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).