[(E)-1,2,3-trimethoxyprop-2-enyl]benzene

C12H16O3 — CID 57260111

IUPAC[(E)-1,2,3-trimethoxyprop-2-enyl]benzene
SMILESCO/C=C(/OC)C(OC)c1ccccc1
InChIInChI=1S/C12H16O3/c1-13-9-11(14-2)12(15-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3/b11-9+
InChIKeyAOURZGSUPNAYBI-PKNBQFBNSA-N
MW208.26 g/mol
LogP2.51
Rot. Bonds5

About [(E)-1,2,3-trimethoxyprop-2-enyl]benzene

[(E)-1,2,3-trimethoxyprop-2-enyl]benzene (PubChem CID 57260111) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(E)-1,2,3-trimethoxyprop-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-1,2,3-trimethoxyprop-2-enyl]benzene
PubChem CID57260111
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[(E)-1,2,3-trimethoxyprop-2-enyl]benzene
SMILESCO/C=C(/OC)C(OC)c1ccccc1
InChIInChI=1S/C12H16O3/c1-13-9-11(14-2)12(15-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3/b11-9+
InChIKeyAOURZGSUPNAYBI-PKNBQFBNSA-N
XLogP2.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.51
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

CID 59883683
CID 59883683
N-hydroxy-2-methoxy-2-phenylacetamide
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2-methoxy-2-phenylacetate
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[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
methyl 2-methoxy-N,2-diphenylethanimidate
CID 23264164
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449
3-diazo-1-methoxy-1-phenylpropan-2-one
CID 86139518

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2,3-trimethoxyprop-2-enyl]benzene?
The IUPAC name of [(E)-1,2,3-trimethoxyprop-2-enyl]benzene (CID 57260111) is [(E)-1,2,3-trimethoxyprop-2-enyl]benzene.
What is the SMILES notation for [(E)-1,2,3-trimethoxyprop-2-enyl]benzene?
The canonical SMILES for [(E)-1,2,3-trimethoxyprop-2-enyl]benzene is CO/C=C(/OC)C(OC)c1ccccc1.
What is the InChIKey of [(E)-1,2,3-trimethoxyprop-2-enyl]benzene?
The InChIKey is AOURZGSUPNAYBI-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H16O3/c1-13-9-11(14-2)12(15-3)10-7-5-4-6-8-10/h4-9,12H,1-3H3/b11-9+.
What are the key properties of [(E)-1,2,3-trimethoxyprop-2-enyl]benzene?
[(E)-1,2,3-trimethoxyprop-2-enyl]benzene has a molecular weight of 208.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2,3-trimethoxyprop-2-enyl]benzene is sourced from PubChem (CID 57260111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).