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

C12H16O3 — CID 643381

IUPAC1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C12H16O3/c1-5-6-10-11(14-3)7-9(13-2)8-12(10)15-4/h5-8H,1-4H3/b6-5+
InChIKeyYBMDBMYALSGVCL-AATRIKPKSA-N
MW208.26 g/mol
LogP2.75
Rot. Bonds4

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

1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene (PubChem CID 643381) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
PubChem CID643381
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C12H16O3/c1-5-6-10-11(14-3)7-9(13-2)8-12(10)15-4/h5-8H,1-4H3/b6-5+
InChIKeyYBMDBMYALSGVCL-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

1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
CID 101022784
CID 101022784
1,3,5-trimethoxy-2-(2-phenylethenyl)benzene
CID 3809571
(1E,6E)-1,7-bis(2,4,6-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 155805094
tert-butyl (E)-3-(2,4,6-trimethoxyphenyl)prop-2-enoate
CID 42640185
(2E,4E)-3-methyl-5-(2,4,6-trimethoxyphenyl)penta-2,4-dienal
CID 51040851
4-[(E)-2-[4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 139175976
5-[2-(2,4,6-trimethoxyphenyl)ethenyl]thiophene-2-carbaldehyde
CID 86667592
1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 3410175
1-(2,4-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 69051242
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1-methyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]pyridin-1-ium iodide
CID 54612482

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene (CID 643381) is 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene is C/C=C/c1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene?
The InChIKey is YBMDBMYALSGVCL-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-10-11(14-3)7-9(13-2)8-12(10)15-4/h5-8H,1-4H3/b6-5+.
What are the key properties of 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene?
1,3,5-trimethoxy-2-[(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 1,3,5-trimethoxy-2-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 643381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).