1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene

C12H16O3 — CID 10443032

IUPAC1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)cc(OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)8-11(14-3)12(9)15-4/h5-8H,1-4H3/b6-5+
InChIKeyVWEDKGLQURJRPK-AATRIKPKSA-N
MW208.26 g/mol
LogP2.75
Rot. Bonds4

About 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene

1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene (PubChem CID 10443032) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
PubChem CID10443032
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)cc(OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)8-11(14-3)12(9)15-4/h5-8H,1-4H3/b6-5+
InChIKeyVWEDKGLQURJRPK-AATRIKPKSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
CID 643381
1,3-bis(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 54466705
(E)-1-(3-methoxyphenyl)-3-(2,3,5-trimethoxyphenyl)prop-2-en-1-one
CID 70016951
1-[2,4-dimethoxy-6-[(E)-prop-1-enyl]phenyl]-N-methoxyethanimine
CID 138963202
[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl] 3,4-dimethoxy-5-[(E)-prop-1-enyl]benzoate
CID 16573023
1,2,4-trimethoxy-5-prop-1-enylbenzene
CID 17903
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838
1,2,5-trimethoxy-3-(2-nitroprop-1-enyl)benzene
CID 620061
1-fluoro-2,3,5-trimethoxybenzene
CID 151392889

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene (CID 10443032) is 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(OC)cc(OC)c1OC.
What is the InChIKey of 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene?
The InChIKey is VWEDKGLQURJRPK-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)8-11(14-3)12(9)15-4/h5-8H,1-4H3/b6-5+.
What are the key properties of 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene?
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene has a molecular weight of 208.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 10443032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).