methyl 5-ethenyl-2-methylbenzoate

C11H12O2 — CID 10702422

IUPACmethyl 5-ethenyl-2-methylbenzoate
SMILESC=Cc1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C11H12O2/c1-4-9-6-5-8(2)10(7-9)11(12)13-3/h4-7H,1H2,2-3H3
InChIKeyWHJGCEWGYCEIEX-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.42
Rot. Bonds2

About methyl 5-ethenyl-2-methylbenzoate

methyl 5-ethenyl-2-methylbenzoate (PubChem CID 10702422) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is methyl 5-ethenyl-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-ethenyl-2-methylbenzoate
PubChem CID10702422
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Namemethyl 5-ethenyl-2-methylbenzoate
SMILESC=Cc1ccc(C)c(C(=O)OC)c1
InChIInChI=1S/C11H12O2/c1-4-9-6-5-8(2)10(7-9)11(12)13-3/h4-7H,1H2,2-3H3
InChIKeyWHJGCEWGYCEIEX-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethenyl-2-methylphenyl)ethanone
CID 143958265
3-(3-methoxycarbonyl-4-methylphenyl)prop-2-enoic acid
CID 169460774
4-(3-methoxycarbonyl-4-methylphenyl)but-3-enoic acid
CID 170484083
methyl 5-(4-amino-4-oxobut-1-enyl)-2-methylbenzoate
CID 170798449
methyl 5-(4-acetamidobut-1-enyl)-2-methylbenzoate
CID 170489218
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
CID 141024991
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
4-bromo-2-methylbenzoic acid;methyl 4-bromo-2-methylbenzoate;methyl 4-ethenyl-2-methylbenzoate;methyl 4-formyl-2-methylbenzoate
CID 159810314
(3-methoxycarbonyl-4-methylphenyl)carbamic acid
CID 175178489
methyl 5-(4-azidobut-1-enyl)-2-methylbenzoate
CID 170485808
methyl 5-(bromomethyl)-2-methylbenzoate
CID 86212244
methyl 5-ethenyl-1-methyl-2-oxopyridine-3-carboxylate
CID 176972343

Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-2-methylbenzoate?
The IUPAC name of methyl 5-ethenyl-2-methylbenzoate (CID 10702422) is methyl 5-ethenyl-2-methylbenzoate.
What is the SMILES notation for methyl 5-ethenyl-2-methylbenzoate?
The canonical SMILES for methyl 5-ethenyl-2-methylbenzoate is C=Cc1ccc(C)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-ethenyl-2-methylbenzoate?
The InChIKey is WHJGCEWGYCEIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-4-9-6-5-8(2)10(7-9)11(12)13-3/h4-7H,1H2,2-3H3.
What are the key properties of methyl 5-ethenyl-2-methylbenzoate?
methyl 5-ethenyl-2-methylbenzoate has a molecular weight of 176.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-2-methylbenzoate is sourced from PubChem (CID 10702422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).