1-(3-ethoxypropoxy)-3,5-dimethylbenzene

C13H20O2 — CID 65202414

IUPAC1-(3-ethoxypropoxy)-3,5-dimethylbenzene
SMILESCCOCCCOc1cc(C)cc(C)c1
InChIInChI=1S/C13H20O2/c1-4-14-6-5-7-15-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3
InChIKeySWSQNFVPVUEAJH-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.11
Rot. Bonds6

About 1-(3-ethoxypropoxy)-3,5-dimethylbenzene

1-(3-ethoxypropoxy)-3,5-dimethylbenzene (PubChem CID 65202414) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-ethoxypropoxy)-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-(3-ethoxypropoxy)-3,5-dimethylbenzene
PubChem CID65202414
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(3-ethoxypropoxy)-3,5-dimethylbenzene
SMILESCCOCCCOc1cc(C)cc(C)c1
InChIInChI=1S/C13H20O2/c1-4-14-6-5-7-15-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3
InChIKeySWSQNFVPVUEAJH-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.11
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-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1-butoxy-3,5-dimethylbenzene;methanamine
CID 142103581
3-bromo-5-(3-ethoxypropoxy)aniline
CID 103588246
4-(3-ethoxypropoxy)aniline
CID 43365878
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
3-butoxy-5-methylaniline
CID 112648427
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
diethyl 2-[3-(3,5-dimethylphenoxy)propyl]propanedioate
CID 2843530
6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
CID 106800724
2-chloro-5-(2-ethoxyethoxy)-1,3-dimethylbenzene
CID 112828342
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
4-[3-(3,5-dimethylphenoxy)propoxy]piperidine
CID 28803106

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropoxy)-3,5-dimethylbenzene?
The IUPAC name of 1-(3-ethoxypropoxy)-3,5-dimethylbenzene (CID 65202414) is 1-(3-ethoxypropoxy)-3,5-dimethylbenzene.
What is the SMILES notation for 1-(3-ethoxypropoxy)-3,5-dimethylbenzene?
The canonical SMILES for 1-(3-ethoxypropoxy)-3,5-dimethylbenzene is CCOCCCOc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3-ethoxypropoxy)-3,5-dimethylbenzene?
The InChIKey is SWSQNFVPVUEAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-14-6-5-7-15-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3-ethoxypropoxy)-3,5-dimethylbenzene?
1-(3-ethoxypropoxy)-3,5-dimethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropoxy)-3,5-dimethylbenzene is sourced from PubChem (CID 65202414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).