1-cyclobutylethylbenzene

C12H16 — CID 22024745

IUPAC1-cyclobutylethylbenzene
SMILESCC(c1ccccc1)C1CCC1
InChIInChI=1S/C12H16/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyRIQGTOFTJRWXRX-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.59
Rot. Bonds2

About 1-cyclobutylethylbenzene

1-cyclobutylethylbenzene (PubChem CID 22024745) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-cyclobutylethylbenzene.

Molecular Properties

Compound Name1-cyclobutylethylbenzene
PubChem CID22024745
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-cyclobutylethylbenzene
SMILESCC(c1ccccc1)C1CCC1
InChIInChI=1S/C12H16/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyRIQGTOFTJRWXRX-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
3-(1-cyclobutylethyl)aniline
CID 115014570
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
3-(1-phenylethyl)oxolane
CID 150323599
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-[[2-hydroxy-6-[3-(1-phenylethyl)cyclohexyl]phenyl]methyl]-3-[3-(1-phenylethyl)cyclohexyl]phenol
CID 101304078
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
3-(1-phenylethyl)azetidine-1-carbaldehyde
CID 175161452
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylethylbenzene?
The IUPAC name of 1-cyclobutylethylbenzene (CID 22024745) is 1-cyclobutylethylbenzene.
What is the SMILES notation for 1-cyclobutylethylbenzene?
The canonical SMILES for 1-cyclobutylethylbenzene is CC(c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutylethylbenzene?
The InChIKey is RIQGTOFTJRWXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-10(12-8-5-9-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3.
What are the key properties of 1-cyclobutylethylbenzene?
1-cyclobutylethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethylbenzene is sourced from PubChem (CID 22024745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).