3-cyclobutyloxybutylbenzene

C14H20O — CID 177473923

IUPAC3-cyclobutyloxybutylbenzene
SMILESCC(CCc1ccccc1)OC1CCC1
InChIInChI=1S/C14H20O/c1-12(15-14-8-5-9-14)10-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3
InChIKeyOQFISLRDUJIRLF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.58
Rot. Bonds5

About 3-cyclobutyloxybutylbenzene

3-cyclobutyloxybutylbenzene (PubChem CID 177473923) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-cyclobutyloxybutylbenzene.

Molecular Properties

Compound Name3-cyclobutyloxybutylbenzene
PubChem CID177473923
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-cyclobutyloxybutylbenzene
SMILESCC(CCc1ccccc1)OC1CCC1
InChIInChI=1S/C14H20O/c1-12(15-14-8-5-9-14)10-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3
InChIKeyOQFISLRDUJIRLF-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyloxyethylbenzene
CID 54003575
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
N-(2-cycloheptyloxypropyl)aniline
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di(cyclobutyloxy)-(2-phenylethyl)phosphane
CID 141159211
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
acetonitrile;N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-methylbutan-2-amine
CID 70244193
N-(cyclohexylmethyl)-4-phenylbutan-2-amine;hydrochloride
CID 17207144
N-(4-phenylbutan-2-yl)cyclohexanamine
CID 10633307
(1R)-1-cyclobutyl-3-phenylpropan-1-amine;hydrochloride
CID 11535925
3,4-dimethylhexylbenzene
CID 72602417
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
3,3-dicyclohexylpropylbenzene
CID 86671113

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxybutylbenzene?
The IUPAC name of 3-cyclobutyloxybutylbenzene (CID 177473923) is 3-cyclobutyloxybutylbenzene.
What is the SMILES notation for 3-cyclobutyloxybutylbenzene?
The canonical SMILES for 3-cyclobutyloxybutylbenzene is CC(CCc1ccccc1)OC1CCC1.
What is the InChIKey of 3-cyclobutyloxybutylbenzene?
The InChIKey is OQFISLRDUJIRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-12(15-14-8-5-9-14)10-11-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3.
What are the key properties of 3-cyclobutyloxybutylbenzene?
3-cyclobutyloxybutylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxybutylbenzene is sourced from PubChem (CID 177473923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).