2-methylprop-2-enyl 4-chlorobenzoate

C11H11ClO2 — CID 78789028

IUPAC2-methylprop-2-enyl 4-chlorobenzoate
SMILESC=C(C)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,1,7H2,2H3
InChIKeyZQUYOLJTVFGYCT-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.07
Rot. Bonds3

About 2-methylprop-2-enyl 4-chlorobenzoate

2-methylprop-2-enyl 4-chlorobenzoate (PubChem CID 78789028) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-methylprop-2-enyl 4-chlorobenzoate.

Molecular Properties

Compound Name2-methylprop-2-enyl 4-chlorobenzoate
PubChem CID78789028
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-methylprop-2-enyl 4-chlorobenzoate
SMILESC=C(C)COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,1,7H2,2H3
InChIKeyZQUYOLJTVFGYCT-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
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

2-methylprop-2-enyl 4-[(S)-propan-2-ylsulfinyl]benzoate
CID 96520013
(2-hydroxy-2-methylpropyl) 4-chlorobenzoate
CID 139815240
2-methylprop-2-enyl 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 78790693
2-(4-chlorophenyl)prop-2-enyl ethyl carbonate
CID 102130678
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetamidobenzoate
CID 7949789
2-sulfanylethyl 4-chlorobenzoate
CID 20559900
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
3-O-(2-methylprop-2-enyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730802
[2-(4-chlorophenyl)-2-oxoethyl] 4-cyanobenzoate
CID 4576345
bis(2-methylprop-2-enyl) pyridine-2,4-dicarboxylate
CID 86807799

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 4-chlorobenzoate?
The IUPAC name of 2-methylprop-2-enyl 4-chlorobenzoate (CID 78789028) is 2-methylprop-2-enyl 4-chlorobenzoate.
What is the SMILES notation for 2-methylprop-2-enyl 4-chlorobenzoate?
The canonical SMILES for 2-methylprop-2-enyl 4-chlorobenzoate is C=C(C)COC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-methylprop-2-enyl 4-chlorobenzoate?
The InChIKey is ZQUYOLJTVFGYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6H,1,7H2,2H3.
What are the key properties of 2-methylprop-2-enyl 4-chlorobenzoate?
2-methylprop-2-enyl 4-chlorobenzoate has a molecular weight of 210.66 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 4-chlorobenzoate is sourced from PubChem (CID 78789028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).