2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene

C21H26O4 — CID 2283169

IUPAC2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1
InChIInChI=1S/C21H26O4/c1-5-7-17-9-11-19(21(15-17)23-4)25-13-6-12-24-18-10-8-16(2)14-20(18)22-3/h5,8-11,14-15H,1,6-7,12-13H2,2-4H3
InChIKeyCLYPHAISSQKVLO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.59
Rot. Bonds10

About 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene

2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene (PubChem CID 2283169) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene.

Molecular Properties

Compound Name2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
PubChem CID2283169
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1
InChIInChI=1S/C21H26O4/c1-5-7-17-9-11-19(21(15-17)23-4)25-13-6-12-24-18-10-8-16(2)14-20(18)22-3/h5,8-11,14-15H,1,6-7,12-13H2,2-4H3
InChIKeyCLYPHAISSQKVLO-UHFFFAOYSA-N
XLogP4.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
1-(2,5-dimethylphenoxy)-2-methoxy-4-prop-2-enylbenzene
CID 67892589
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1-[2-[2-(2-iodo-4-methylphenoxy)ethoxy]ethoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284242
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene?
The IUPAC name of 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene (CID 2283169) is 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene.
What is the SMILES notation for 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene?
The canonical SMILES for 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene is C=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1.
What is the InChIKey of 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene?
The InChIKey is CLYPHAISSQKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-5-7-17-9-11-19(21(15-17)23-4)25-13-6-12-24-18-10-8-16(2)14-20(18)22-3/h5,8-11,14-15H,1,6-7,12-13H2,2-4H3.
What are the key properties of 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene?
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene has a molecular weight of 342.44 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene is sourced from PubChem (CID 2283169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).