1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene

C22H28O4 — CID 2285613

IUPAC1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCOCCOc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C22H28O4/c1-5-6-19-8-10-21(22(16-19)23-4)26-14-12-24-11-13-25-20-9-7-17(2)18(3)15-20/h5-10,15-16H,11-14H2,1-4H3/b6-5+
InChIKeyIOEATPZTEVIQSP-AATRIKPKSA-N
MW356.46 g/mol
LogP4.82
Rot. Bonds10

About 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene

1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene (PubChem CID 2285613) has the molecular formula C22H28O4 and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
PubChem CID2285613
Molecular FormulaC22H28O4
Molecular Weight356.46 g/mol
Exact Mass356.20
IUPAC Name1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1ccc(OCCOCCOc2ccc(C)c(C)c2)c(OC)c1
InChIInChI=1S/C22H28O4/c1-5-6-19-8-10-21(22(16-19)23-4)26-14-12-24-11-13-25-20-9-7-17(2)18(3)15-20/h5-10,15-16H,11-14H2,1-4H3/b6-5+
InChIKeyIOEATPZTEVIQSP-AATRIKPKSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenoxy)butoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene
CID 2292081
N-[2-[2-(2-methoxy-4-prop-1-enylphenoxy)ethoxy]ethyl]butan-2-amine
CID 2936136
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
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]aniline
CID 76946846
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
2-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20992783
(5E)-2-amino-5-[[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-1,3-thiazol-4-one
CID 99902550
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3-methylbutan-1-amine
CID 76946866
N-[2-(2-methoxy-4-prop-1-enylphenoxy)ethyl]-3,3-dimethylbutan-1-amine
CID 76946730
1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
CID 2251577

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene (CID 2285613) is 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene is C/C=C/c1ccc(OCCOCCOc2ccc(C)c(C)c2)c(OC)c1.
What is the InChIKey of 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
The InChIKey is IOEATPZTEVIQSP-AATRIKPKSA-N. The full InChI is InChI=1S/C22H28O4/c1-5-6-19-8-10-21(22(16-19)23-4)26-14-12-24-11-13-25-20-9-7-17(2)18(3)15-20/h5-10,15-16H,11-14H2,1-4H3/b6-5+.
What are the key properties of 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene?
1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene has a molecular weight of 356.46 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 2285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).