1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene

C18H22O2 — CID 2944428

IUPAC1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(OCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-13-7-14(2)10-17(9-13)19-5-6-20-18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyLMWHCLHWBSSCKT-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.38
Rot. Bonds5

About 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene

1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene (PubChem CID 2944428) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
PubChem CID2944428
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(OCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H22O2/c1-13-7-14(2)10-17(9-13)19-5-6-20-18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3
InChIKeyLMWHCLHWBSSCKT-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
1,3-dimethyl-5-[2-(2-methylpropoxy)ethoxy]benzene
CID 106458424
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
1,3-dimethyl-5-(3-methylbut-3-enoxy)benzene
CID 114477410
2-[2-(3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371047
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
1-[2-(3,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085214
3-butoxy-5-methylaniline
CID 112648427
N-methyl-2-[3-methyl-5-[2-(methylamino)ethoxy]phenoxy]ethanamine
CID 123710934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene?
The IUPAC name of 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene (CID 2944428) is 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene?
The canonical SMILES for 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene is Cc1cc(C)cc(OCCOc2cc(C)cc(C)c2)c1.
What is the InChIKey of 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene?
The InChIKey is LMWHCLHWBSSCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-13-7-14(2)10-17(9-13)19-5-6-20-18-11-15(3)8-16(4)12-18/h7-12H,5-6H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene?
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene has a molecular weight of 270.37 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene is sourced from PubChem (CID 2944428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).