benzene;(2-ethenylphenyl) acetate

C16H16O2 — CID 175577038

IUPACbenzene;(2-ethenylphenyl) acetate
SMILESC=Cc1ccccc1OC(C)=O.c1ccccc1
InChIInChI=1S/C10H10O2.C6H6/c1-3-9-6-4-5-7-10(9)12-8(2)11;1-2-4-6-5-3-1/h3-7H,1H2,2H3;1-6H
InChIKeyYCFYAFRNNVDFSU-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.94
Rot. Bonds2

About benzene;(2-ethenylphenyl) acetate

benzene;(2-ethenylphenyl) acetate (PubChem CID 175577038) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is benzene;(2-ethenylphenyl) acetate.

Molecular Properties

Compound Namebenzene;(2-ethenylphenyl) acetate
PubChem CID175577038
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namebenzene;(2-ethenylphenyl) acetate
SMILESC=Cc1ccccc1OC(C)=O.c1ccccc1
InChIInChI=1S/C10H10O2.C6H6/c1-3-9-6-4-5-7-10(9)12-8(2)11;1-2-4-6-5-3-1/h3-7H,1H2,2H3;1-6H
InChIKeyYCFYAFRNNVDFSU-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.94
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-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
[2-[(E)-3-oxoprop-1-enyl]phenyl] acetate
CID 6069153
2-(2-ethenylphenoxy)-2-methylpropanoic acid
CID 135013356
[2-(tert-butyliminomethyl)phenyl] acetate
CID 15905761
[4-(chloromethyl)-2-ethenylphenyl] acetate
CID 66808261
(2-ethenylphenyl) 2-cyanoprop-2-enoate
CID 141117758
[2-[1-[1-(2-acetyloxyphenyl)prop-2-enylsulfanyl]prop-2-enyl]phenyl] acetate
CID 70247205
2-acetyloxybenzoic acid;ethene
CID 67877309
benzene;1-ethenyl-2-(2-ethenylphenoxy)benzene;phosphoric acid
CID 174842663
3-(2-acetyloxyphenyl)-2-benzylprop-2-enoic acid
CID 139716738
[2-(1-phenylethenyl)phenyl] acetate
CID 162348205
CID 159564409
CID 159564409

Frequently Asked Questions

What is the IUPAC name of benzene;(2-ethenylphenyl) acetate?
The IUPAC name of benzene;(2-ethenylphenyl) acetate (CID 175577038) is benzene;(2-ethenylphenyl) acetate.
What is the SMILES notation for benzene;(2-ethenylphenyl) acetate?
The canonical SMILES for benzene;(2-ethenylphenyl) acetate is C=Cc1ccccc1OC(C)=O.c1ccccc1.
What is the InChIKey of benzene;(2-ethenylphenyl) acetate?
The InChIKey is YCFYAFRNNVDFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2.C6H6/c1-3-9-6-4-5-7-10(9)12-8(2)11;1-2-4-6-5-3-1/h3-7H,1H2,2H3;1-6H.
What are the key properties of benzene;(2-ethenylphenyl) acetate?
benzene;(2-ethenylphenyl) acetate has a molecular weight of 240.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;(2-ethenylphenyl) acetate is sourced from PubChem (CID 175577038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).