methyl 4-ethenylbenzoate

C10H10O2 — CID 583124

IUPACmethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKeyNUMHUJZXKZKUBN-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.12
Rot. Bonds2

About methyl 4-ethenylbenzoate

methyl 4-ethenylbenzoate (PubChem CID 583124) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is methyl 4-ethenylbenzoate.

Molecular Properties

Compound Namemethyl 4-ethenylbenzoate
PubChem CID583124
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Namemethyl 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3
InChIKeyNUMHUJZXKZKUBN-UHFFFAOYSA-N
XLogP2.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenylbenzoate?
The IUPAC name of methyl 4-ethenylbenzoate (CID 583124) is methyl 4-ethenylbenzoate.
What is the SMILES notation for methyl 4-ethenylbenzoate?
The canonical SMILES for methyl 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-ethenylbenzoate?
The InChIKey is NUMHUJZXKZKUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h3-7H,1H2,2H3.
What are the key properties of methyl 4-ethenylbenzoate?
methyl 4-ethenylbenzoate has a molecular weight of 162.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenylbenzoate is sourced from PubChem (CID 583124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).