methane;3-phenylprop-2-enyl acetate

C16H32O2 — CID 161251880

IUPACmethane;3-phenylprop-2-enyl acetate
SMILESC.C.C.C.C.CC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C11H12O2.5CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;;;;;/h2-8H,9H2,1H3;5*1H4
InChIKeyVBJKVXACDPVEHH-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.44
Rot. Bonds3

About methane;3-phenylprop-2-enyl acetate

methane;3-phenylprop-2-enyl acetate (PubChem CID 161251880) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is methane;3-phenylprop-2-enyl acetate.

Molecular Properties

Compound Namemethane;3-phenylprop-2-enyl acetate
PubChem CID161251880
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Namemethane;3-phenylprop-2-enyl acetate
SMILESC.C.C.C.C.CC(=O)OCC=Cc1ccccc1
InChIInChI=1S/C11H12O2.5CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;;;;;/h2-8H,9H2,1H3;5*1H4
InChIKeyVBJKVXACDPVEHH-UHFFFAOYSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
[(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
2-methylprop-2-enoic acid;3-phenylprop-2-enyl 2-methylprop-2-enoate
CID 137350549
[(E)-3-phenylprop-2-enyl] 2,2-dimethyl-3-oxobutanoate
CID 25170861
[(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;3-phenylprop-2-enyl acetate?
The IUPAC name of methane;3-phenylprop-2-enyl acetate (CID 161251880) is methane;3-phenylprop-2-enyl acetate.
What is the SMILES notation for methane;3-phenylprop-2-enyl acetate?
The canonical SMILES for methane;3-phenylprop-2-enyl acetate is C.C.C.C.C.CC(=O)OCC=Cc1ccccc1.
What is the InChIKey of methane;3-phenylprop-2-enyl acetate?
The InChIKey is VBJKVXACDPVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.5CH4/c1-10(12)13-9-5-8-11-6-3-2-4-7-11;;;;;/h2-8H,9H2,1H3;5*1H4.
What are the key properties of methane;3-phenylprop-2-enyl acetate?
methane;3-phenylprop-2-enyl acetate has a molecular weight of 256.43 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-phenylprop-2-enyl acetate is sourced from PubChem (CID 161251880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).