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

C16H26O — CID 82924112

IUPAC2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCCC(CC)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-6-14(7-2)11-17-16-10-15(12(3)4)9-8-13(16)5/h8-10,12,14H,6-7,11H2,1-5H3
InChIKeyBUZDFTZJEQWUPO-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.93
Rot. Bonds6

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

2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene (PubChem CID 82924112) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
PubChem CID82924112
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCCC(CC)COc1cc(C(C)C)ccc1C
InChIInChI=1S/C16H26O/c1-6-14(7-2)11-17-16-10-15(12(3)4)9-8-13(16)5/h8-10,12,14H,6-7,11H2,1-5H3
InChIKeyBUZDFTZJEQWUPO-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(bromomethyl)butoxy]-1-methyl-4-propan-2-ylbenzene
CID 64994983
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(ethoxymethoxy)-1-methyl-4-propan-2-ylbenzene
CID 81005195
1-(4-methylphenyl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanol
CID 63466297
1-bromo-3-(2-methyl-5-propan-2-ylphenoxy)propan-2-ol
CID 112560709
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
3-amino-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64897303
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene (CID 82924112) is 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene is CCC(CC)COc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene?
The InChIKey is BUZDFTZJEQWUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-14(7-2)11-17-16-10-15(12(3)4)9-8-13(16)5/h8-10,12,14H,6-7,11H2,1-5H3.
What are the key properties of 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene?
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 82924112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).