1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene

C12H16O2 — CID 5382490

IUPAC1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(OC)c1
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+
InChIKeyAOSKXPFBGRLCEG-GQCTYLIASA-N
MW192.26 g/mol
LogP3.13
Rot. Bonds4

About 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene

1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 5382490) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID5382490
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCC)c(OC)c1
InChIInChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+
InChIKeyAOSKXPFBGRLCEG-GQCTYLIASA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene (CID 5382490) is 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCC)c(OC)c1.
What is the InChIKey of 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is AOSKXPFBGRLCEG-GQCTYLIASA-N. The full InChI is InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+.
What are the key properties of 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene?
1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 192.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 5382490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).