ethenyl acetate;1-phenylethanol

C12H16O3 — CID 170349745

IUPACethenyl acetate;1-phenylethanol
SMILESC=COC(C)=O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C4H6O2/c1-7(9)8-5-3-2-4-6-8;1-3-6-4(2)5/h2-7,9H,1H3;3H,1H2,2H3
InChIKeyIMSFLFCVKRPGEI-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.43
Rot. Bonds2

About ethenyl acetate;1-phenylethanol

ethenyl acetate;1-phenylethanol (PubChem CID 170349745) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethenyl acetate;1-phenylethanol.

Molecular Properties

Compound Nameethenyl acetate;1-phenylethanol
PubChem CID170349745
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethenyl acetate;1-phenylethanol
SMILESC=COC(C)=O.CC(O)c1ccccc1
InChIInChI=1S/C8H10O.C4H6O2/c1-7(9)8-5-3-2-4-6-8;1-3-6-4(2)5/h2-7,9H,1H3;3H,1H2,2H3
InChIKeyIMSFLFCVKRPGEI-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloroethene;ethenyl acetate;styrene
CID 87524858
ethenyl 2-phenylpropanoate
CID 11116578
ethenyl 2-acetyloxy-2-phenylacetate
CID 174358025
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
(1S)-1-phenylethanol
CID 157125626
chloroethene;ethenyl acetate;phenol
CID 162207546
ethene;ethenyl acetate;2-hydroxypropanoic acid
CID 174695365
1-chloroethenylbenzene;ethenyl acetate
CID 174886349
ethenyl 1-phenylethyl carbonate
CID 11008749
ethenyl acetate;2-phenylacetic acid
CID 158502406
azane;(1R)-1-phenylethanol
CID 126646564
ethenyl acetate
CID 7904

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;1-phenylethanol?
The IUPAC name of ethenyl acetate;1-phenylethanol (CID 170349745) is ethenyl acetate;1-phenylethanol.
What is the SMILES notation for ethenyl acetate;1-phenylethanol?
The canonical SMILES for ethenyl acetate;1-phenylethanol is C=COC(C)=O.CC(O)c1ccccc1.
What is the InChIKey of ethenyl acetate;1-phenylethanol?
The InChIKey is IMSFLFCVKRPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H6O2/c1-7(9)8-5-3-2-4-6-8;1-3-6-4(2)5/h2-7,9H,1H3;3H,1H2,2H3.
What are the key properties of ethenyl acetate;1-phenylethanol?
ethenyl acetate;1-phenylethanol has a molecular weight of 208.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;1-phenylethanol is sourced from PubChem (CID 170349745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).