4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene

C18H22O3 — CID 2251577

IUPAC4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
SMILESCOc1ccccc1OCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C18H22O3/c1-14-9-10-16(13-15(14)2)20-11-6-12-21-18-8-5-4-7-17(18)19-3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyUYSFOTHYMDIVIV-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.16
Rot. Bonds7

About 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene

4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene (PubChem CID 2251577) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
PubChem CID2251577
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene
SMILESCOc1ccccc1OCCCOc1ccc(C)c(C)c1
InChIInChI=1S/C18H22O3/c1-14-9-10-16(13-15(14)2)20-11-6-12-21-18-8-5-4-7-17(18)19-3/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyUYSFOTHYMDIVIV-UHFFFAOYSA-N
XLogP4.16
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-methoxyphenoxy)butoxy]-2-methylaniline
CID 82097295
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
2-chloro-5-[2-(2-methoxyphenoxy)ethoxy]-1,3-dimethylbenzene
CID 2284147
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1-methoxy-2-(4-phenoxybutoxy)benzene
CID 2252132
1-methoxy-2-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 78767785
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
2-[3-(2-methoxyphenoxy)propoxy]-1-methyl-4-propan-2-ylbenzene
CID 2285673
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1,2-dimethyl-4-propoxybenzene
CID 23549082

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene (CID 2251577) is 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene is COc1ccccc1OCCCOc1ccc(C)c(C)c1.
What is the InChIKey of 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene?
The InChIKey is UYSFOTHYMDIVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-14-9-10-16(13-15(14)2)20-11-6-12-21-18-8-5-4-7-17(18)19-3/h4-5,7-10,13H,6,11-12H2,1-3H3.
What are the key properties of 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene?
4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene has a molecular weight of 286.37 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyphenoxy)propoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 2251577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).