1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene

C11H14O2 — CID 637776

IUPAC1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
InChIKeyNNWHUJCUHAELCL-SNAWJCMRSA-N
MW178.23 g/mol
LogP2.74
Rot. Bonds3

About 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene

1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 637776) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID637776
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OC)c(OC)c1
InChIInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+
InChIKeyNNWHUJCUHAELCL-SNAWJCMRSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene (CID 637776) is 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is NNWHUJCUHAELCL-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+.
What are the key properties of 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene?
1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 178.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 637776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).