4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole

C11H12O3 — CID 6436484

IUPAC4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+
InChIKeyDHUZAAUGHUHIDS-ONEGZZNKSA-N
MW192.21 g/mol
LogP2.46
Rot. Bonds2

About 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole

4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole (PubChem CID 6436484) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Name4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
PubChem CID6436484
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1cc(OC)c2c(c1)OCO2
InChIInChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+
InChIKeyDHUZAAUGHUHIDS-ONEGZZNKSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole?
The IUPAC name of 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole (CID 6436484) is 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole.
What is the SMILES notation for 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole?
The canonical SMILES for 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole is C/C=C/c1cc(OC)c2c(c1)OCO2.
What is the InChIKey of 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole?
The InChIKey is DHUZAAUGHUHIDS-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+.
What are the key properties of 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole?
4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole has a molecular weight of 192.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(E)-prop-1-enyl]-1,3-benzodioxole is sourced from PubChem (CID 6436484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).