2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene

C13H20O2 — CID 81005195

IUPAC2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCCOCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O2/c1-5-14-9-15-13-8-12(10(2)3)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3
InChIKeyAVDGZKZQFRUMRB-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.49
Rot. Bonds5

About 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene

2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene (PubChem CID 81005195) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
PubChem CID81005195
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCCOCOc1cc(C(C)C)ccc1C
InChIInChI=1S/C13H20O2/c1-5-14-9-15-13-8-12(10(2)3)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3
InChIKeyAVDGZKZQFRUMRB-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(phenylmethoxymethoxy)-4-propan-2-ylbenzene
CID 102940832
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283913
3-(ethoxymethoxy)-4-methylaniline
CID 65364310
2-hexoxy-1-methyl-4-propan-2-ylbenzene
CID 81004927
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
2-butan-2-yloxy-1-methyl-4-propan-2-ylbenzene
CID 81005711
N-methyl-2-(2-methyl-5-propan-2-ylphenoxy)ethanamine
CID 61035897
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
2-[2-(bromomethyl)butoxy]-1-methyl-4-propan-2-ylbenzene
CID 64994983

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene (CID 81005195) is 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene is CCOCOc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene?
The InChIKey is AVDGZKZQFRUMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-14-9-15-13-8-12(10(2)3)7-6-11(13)4/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene?
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 81005195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).