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

C15H22O — CID 81004753

IUPAC2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1OCC1CCC1
InChIInChI=1S/C15H22O/c1-11(2)14-8-7-12(3)15(9-14)16-10-13-5-4-6-13/h7-9,11,13H,4-6,10H2,1-3H3
InChIKeyAMFWEEKPWIXTCY-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.30
Rot. Bonds4

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

2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene (PubChem CID 81004753) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
PubChem CID81004753
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene
SMILESCc1ccc(C(C)C)cc1OCC1CCC1
InChIInChI=1S/C15H22O/c1-11(2)14-8-7-12(3)15(9-14)16-10-13-5-4-6-13/h7-9,11,13H,4-6,10H2,1-3H3
InChIKeyAMFWEEKPWIXTCY-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
(3R)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrrolidine
CID 86321098
4-[(1R)-1-cyclopropylethyl]-2-(cyclopropylmethoxy)-1-methylbenzene
CID 134553642
[3-(cyclopropylmethoxy)-4-methylphenyl]methanediol
CID 123665502
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
7-[(2-methyl-5-propan-2-ylphenoxy)methyl]bicyclo[4.2.0]octa-1,3,5-triene
CID 81005539
1-methyl-4-propan-2-yl-2-propoxybenzene
CID 78907679
2-(2-ethylbutoxy)-1-methyl-4-propan-2-ylbenzene
CID 82924112
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 66474354

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene?
The IUPAC name of 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene (CID 81004753) is 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene is Cc1ccc(C(C)C)cc1OCC1CCC1.
What is the InChIKey of 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene?
The InChIKey is AMFWEEKPWIXTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-11(2)14-8-7-12(3)15(9-14)16-10-13-5-4-6-13/h7-9,11,13H,4-6,10H2,1-3H3.
What are the key properties of 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene?
2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethoxy)-1-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 81004753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).