2-methylprop-1-enyl 4-chlorobenzoate

C11H11ClO2 — CID 10703694

IUPAC2-methylprop-1-enyl 4-chlorobenzoate
SMILESCC(C)=COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChIKeyUKTIVVGDFVSNDN-UHFFFAOYSA-N
MW210.66 g/mol
LogP3.42
Rot. Bonds2

About 2-methylprop-1-enyl 4-chlorobenzoate

2-methylprop-1-enyl 4-chlorobenzoate (PubChem CID 10703694) has the molecular formula C11H11ClO2 and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-methylprop-1-enyl 4-chlorobenzoate.

Molecular Properties

Compound Name2-methylprop-1-enyl 4-chlorobenzoate
PubChem CID10703694
Molecular FormulaC11H11ClO2
Molecular Weight210.66 g/mol
Exact Mass210.04
IUPAC Name2-methylprop-1-enyl 4-chlorobenzoate
SMILESCC(C)=COC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-7H,1-2H3
InChIKeyUKTIVVGDFVSNDN-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-1-enyl benzoate
CID 10487501
[(Z)-2-fluoro-3-oxoprop-1-enyl] 4-chlorobenzoate
CID 10513571
dimethylamino 4-chlorobenzoate
CID 134848983
(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate
CID 7179
[(Z)-2-(4-chlorophenyl)-2-cyanoethenyl] 4-methoxybenzoate
CID 59742607
chloro 4-chlorobenzoate
CID 67325757
1-(4-chlorophenyl)-3-methylbut-2-en-1-one
CID 15164203
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
2-methylprop-2-enyl 4-chlorobenzoate
CID 78789028
[[(E)-1-chloro-3-oxobut-1-en-2-yl]amino] 4-chlorobenzoate
CID 117061825
1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
CID 12881547
(2Z)-2-(4-chlorophenyl)-6-methylhepta-2,5-dien-4-one
CID 13153107

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enyl 4-chlorobenzoate?
The IUPAC name of 2-methylprop-1-enyl 4-chlorobenzoate (CID 10703694) is 2-methylprop-1-enyl 4-chlorobenzoate.
What is the SMILES notation for 2-methylprop-1-enyl 4-chlorobenzoate?
The canonical SMILES for 2-methylprop-1-enyl 4-chlorobenzoate is CC(C)=COC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-methylprop-1-enyl 4-chlorobenzoate?
The InChIKey is UKTIVVGDFVSNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-7H,1-2H3.
What are the key properties of 2-methylprop-1-enyl 4-chlorobenzoate?
2-methylprop-1-enyl 4-chlorobenzoate has a molecular weight of 210.66 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enyl 4-chlorobenzoate is sourced from PubChem (CID 10703694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).