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

C12H16O3 — CID 5318557

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

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

1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene (PubChem CID 5318557) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene
PubChem CID5318557
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
InChIKeyRRXOQHQFJOQLQR-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene (CID 5318557) is 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene?
The InChIKey is RRXOQHQFJOQLQR-AATRIKPKSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+.
What are the key properties of 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene?
1,2,3-trimethoxy-5-[(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 1,2,3-trimethoxy-5-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 5318557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).