(2-methylphenyl) 4-ethenylbenzoate

C16H14O2 — CID 101047505

IUPAC(2-methylphenyl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C16H14O2/c1-3-13-8-10-14(11-9-13)16(17)18-15-7-5-4-6-12(15)2/h3-11H,1H2,2H3
InChIKeyVSVNJDRVCUWJMJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.86
Rot. Bonds3

About (2-methylphenyl) 4-ethenylbenzoate

(2-methylphenyl) 4-ethenylbenzoate (PubChem CID 101047505) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2-methylphenyl) 4-ethenylbenzoate.

Molecular Properties

Compound Name(2-methylphenyl) 4-ethenylbenzoate
PubChem CID101047505
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name(2-methylphenyl) 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C16H14O2/c1-3-13-8-10-14(11-9-13)16(17)18-15-7-5-4-6-12(15)2/h3-11H,1H2,2H3
InChIKeyVSVNJDRVCUWJMJ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
CID 141024991
[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate
CID 22088303
(2-methylphenyl) 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 1217603
[2-(2,6-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 175615983
4-ethenyl-N-(2-methylphenyl)benzamide
CID 12541509
(2,3-dimethylphenyl) 4-phenylbenzoate
CID 1228166
(2-methylphenyl) 3-bromobenzoate
CID 530789
[2-(2,3-dimethylphenyl)-2-oxoethyl] 4-ethenylbenzoate
CID 174296006
(4-bromophenyl) 4-ethenylbenzoate
CID 102322748
(2,3-dimethylphenyl) 4-fluorobenzoate
CID 837549
(2-ethylphenyl) 2-(4-ethenylphenyl)-2-oxoacetate
CID 174724665

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 4-ethenylbenzoate?
The IUPAC name of (2-methylphenyl) 4-ethenylbenzoate (CID 101047505) is (2-methylphenyl) 4-ethenylbenzoate.
What is the SMILES notation for (2-methylphenyl) 4-ethenylbenzoate?
The canonical SMILES for (2-methylphenyl) 4-ethenylbenzoate is C=Cc1ccc(C(=O)Oc2ccccc2C)cc1.
What is the InChIKey of (2-methylphenyl) 4-ethenylbenzoate?
The InChIKey is VSVNJDRVCUWJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-3-13-8-10-14(11-9-13)16(17)18-15-7-5-4-6-12(15)2/h3-11H,1H2,2H3.
What are the key properties of (2-methylphenyl) 4-ethenylbenzoate?
(2-methylphenyl) 4-ethenylbenzoate has a molecular weight of 238.29 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 4-ethenylbenzoate is sourced from PubChem (CID 101047505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).