methane;[(E)-3-phenylprop-2-enyl] acetate

C12H16O2 — CID 161124319

IUPACmethane;[(E)-3-phenylprop-2-enyl] acetate
SMILESC.CC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2.CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;/h2-8H,9H2,1H3;1H4/b8-5+;
InChIKeyULIYJGDFWIAXHN-HAAWTFQLSA-N
MW192.26 g/mol
LogP2.90
Rot. Bonds3

About methane;[(E)-3-phenylprop-2-enyl] acetate

methane;[(E)-3-phenylprop-2-enyl] acetate (PubChem CID 161124319) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is methane;[(E)-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Namemethane;[(E)-3-phenylprop-2-enyl] acetate
PubChem CID161124319
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namemethane;[(E)-3-phenylprop-2-enyl] acetate
SMILESC.CC(=O)OC/C=C/c1ccccc1
InChIInChI=1S/C11H12O2.CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;/h2-8H,9H2,1H3;1H4/b8-5+;
InChIKeyULIYJGDFWIAXHN-HAAWTFQLSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-phenylprop-2-enyl acetate
CID 161251880
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
bis[(E)-3-phenylprop-2-enyl] (Z)-but-2-enedioate
CID 70543374
2-phenoxyethyl 2-methylpropanoate;3-phenylprop-2-enyl acetate
CID 160865157
[(E)-3-phenylprop-2-enyl] 2,2-dimethyl-3-oxobutanoate
CID 25170861
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[(E)-3-phenylprop-2-enyl] (E)-but-2-enoate
CID 20693228
3-phenylprop-2-enyl butanoate;[(E)-3-phenylprop-2-enyl] butanoate
CID 89428693
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056
ethyl acetate;stilbene
CID 159556390
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
CID 91998712

Frequently Asked Questions

What is the IUPAC name of methane;[(E)-3-phenylprop-2-enyl] acetate?
The IUPAC name of methane;[(E)-3-phenylprop-2-enyl] acetate (CID 161124319) is methane;[(E)-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for methane;[(E)-3-phenylprop-2-enyl] acetate?
The canonical SMILES for methane;[(E)-3-phenylprop-2-enyl] acetate is C.CC(=O)OC/C=C/c1ccccc1.
What is the InChIKey of methane;[(E)-3-phenylprop-2-enyl] acetate?
The InChIKey is ULIYJGDFWIAXHN-HAAWTFQLSA-N. The full InChI is InChI=1S/C11H12O2.CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;/h2-8H,9H2,1H3;1H4/b8-5+;.
What are the key properties of methane;[(E)-3-phenylprop-2-enyl] acetate?
methane;[(E)-3-phenylprop-2-enyl] acetate has a molecular weight of 192.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(E)-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 161124319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).