benzyl 2-ethenyl-4-methylbenzoate

C17H16O2 — CID 172649011

IUPACbenzyl 2-ethenyl-4-methylbenzoate
SMILESC=Cc1cc(C)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O2/c1-3-15-11-13(2)9-10-16(15)17(18)19-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
InChIKeyJYSFZJFFYYYZQV-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.00
Rot. Bonds4

About benzyl 2-ethenyl-4-methylbenzoate

benzyl 2-ethenyl-4-methylbenzoate (PubChem CID 172649011) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is benzyl 2-ethenyl-4-methylbenzoate.

Molecular Properties

Compound Namebenzyl 2-ethenyl-4-methylbenzoate
PubChem CID172649011
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namebenzyl 2-ethenyl-4-methylbenzoate
SMILESC=Cc1cc(C)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C17H16O2/c1-3-15-11-13(2)9-10-16(15)17(18)19-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3
InChIKeyJYSFZJFFYYYZQV-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 2,4-dimethylbenzoate;dihydrochloride
CID 156703415
benzyl 2-cyano-5-methylbenzoate
CID 172648962
benzyl 4-bromo-2-methylbenzoate
CID 22568915
3-O-benzyl 1-O-methyl 5-ethenyl-4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 123907791
benzyl 3,5-dimethylbenzoate
CID 54359872
benzyl 2-[(E)-hydrazinylidenemethyl]benzoate
CID 145402503
bis[[4-(2-methoxyethoxy)phenyl]methyl] 2-ethenylbenzene-1,4-dicarboxylate
CID 122380494
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
benzyl benzoate
CID 2345
benzyl 3-ethenyl-4-(methylideneamino)benzoate
CID 168935326
(3,5-dimethylphenyl)methyl 2,4-dimethylbenzoate
CID 583794
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371

Frequently Asked Questions

What is the IUPAC name of benzyl 2-ethenyl-4-methylbenzoate?
The IUPAC name of benzyl 2-ethenyl-4-methylbenzoate (CID 172649011) is benzyl 2-ethenyl-4-methylbenzoate.
What is the SMILES notation for benzyl 2-ethenyl-4-methylbenzoate?
The canonical SMILES for benzyl 2-ethenyl-4-methylbenzoate is C=Cc1cc(C)ccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-ethenyl-4-methylbenzoate?
The InChIKey is JYSFZJFFYYYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-3-15-11-13(2)9-10-16(15)17(18)19-12-14-7-5-4-6-8-14/h3-11H,1,12H2,2H3.
What are the key properties of benzyl 2-ethenyl-4-methylbenzoate?
benzyl 2-ethenyl-4-methylbenzoate has a molecular weight of 252.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-ethenyl-4-methylbenzoate is sourced from PubChem (CID 172649011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).