2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane

C15H20O4 — CID 88894201

IUPAC2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane
SMILESC/C=C/c1ccc(OCOCC2(C)CO2)c(OC)c1
InChIInChI=1S/C15H20O4/c1-4-5-12-6-7-13(14(8-12)16-3)18-11-17-9-15(2)10-19-15/h4-8H,9-11H2,1-3H3/b5-4+
InChIKeyMMWOJXWTNLJDCD-SNAWJCMRSA-N
MW264.32 g/mol
LogP2.87
Rot. Bonds7

About 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane

2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane (PubChem CID 88894201) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane
PubChem CID88894201
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane
SMILESC/C=C/c1ccc(OCOCC2(C)CO2)c(OC)c1
InChIInChI=1S/C15H20O4/c1-4-5-12-6-7-13(14(8-12)16-3)18-11-17-9-15(2)10-19-15/h4-8H,9-11H2,1-3H3/b5-4+
InChIKeyMMWOJXWTNLJDCD-SNAWJCMRSA-N
XLogP2.87
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 888309
1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]morpholine
CID 58923296
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
CID 6428969
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]benzonitrile
CID 26054579
5-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1,3-oxazolidin-2-one
CID 134123269

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane?
The IUPAC name of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane (CID 88894201) is 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane.
What is the SMILES notation for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane?
The canonical SMILES for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane is C/C=C/c1ccc(OCOCC2(C)CO2)c(OC)c1.
What is the InChIKey of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane?
The InChIKey is MMWOJXWTNLJDCD-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-12-6-7-13(14(8-12)16-3)18-11-17-9-15(2)10-19-15/h4-8H,9-11H2,1-3H3/b5-4+.
What are the key properties of 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane?
2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane has a molecular weight of 264.32 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methoxymethyl]-2-methyloxirane is sourced from PubChem (CID 88894201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).