ethenyl 1-phenylethyl carbonate

C11H12O3 — CID 11008749

IUPACethenyl 1-phenylethyl carbonate
SMILESC=COC(=O)OC(C)c1ccccc1
InChIInChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKeyIZIZFVHUUGCENZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.04
Rot. Bonds3

About ethenyl 1-phenylethyl carbonate

ethenyl 1-phenylethyl carbonate (PubChem CID 11008749) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is ethenyl 1-phenylethyl carbonate.

Molecular Properties

Compound Nameethenyl 1-phenylethyl carbonate
PubChem CID11008749
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameethenyl 1-phenylethyl carbonate
SMILESC=COC(=O)OC(C)c1ccccc1
InChIInChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3
InChIKeyIZIZFVHUUGCENZ-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-phenylethyl prop-2-enoate
CID 175321764
ethenyl 2-phenylpropanoate
CID 11116578
1-chloroethyl 1-phenylethyl carbonate
CID 119090813
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517
[(1R)-1-phenylethyl] 2-oxoacetate
CID 54399353
ethenyl acetate;1-phenylethanol
CID 170349745
ethenyl (3R)-3-phenylbutanoate
CID 10487918
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
1-phenylethyl N-prop-2-enylcarbamate
CID 67912904
1-phenylethyl benzoate
CID 174857426
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611

Frequently Asked Questions

What is the IUPAC name of ethenyl 1-phenylethyl carbonate?
The IUPAC name of ethenyl 1-phenylethyl carbonate (CID 11008749) is ethenyl 1-phenylethyl carbonate.
What is the SMILES notation for ethenyl 1-phenylethyl carbonate?
The canonical SMILES for ethenyl 1-phenylethyl carbonate is C=COC(=O)OC(C)c1ccccc1.
What is the InChIKey of ethenyl 1-phenylethyl carbonate?
The InChIKey is IZIZFVHUUGCENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-13-11(12)14-9(2)10-7-5-4-6-8-10/h3-9H,1H2,2H3.
What are the key properties of ethenyl 1-phenylethyl carbonate?
ethenyl 1-phenylethyl carbonate has a molecular weight of 192.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 1-phenylethyl carbonate is sourced from PubChem (CID 11008749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).