1-cyclobutyloxy-4-propylbenzene

C13H18O — CID 178141621

IUPAC1-cyclobutyloxy-4-propylbenzene
SMILESCCCc1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H18O/c1-2-4-11-7-9-13(10-8-11)14-12-5-3-6-12/h7-10,12H,2-6H2,1H3
InChIKeyMBMMHMUFETWBSC-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.57
Rot. Bonds4

About 1-cyclobutyloxy-4-propylbenzene

1-cyclobutyloxy-4-propylbenzene (PubChem CID 178141621) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclobutyloxy-4-propylbenzene.

Molecular Properties

Compound Name1-cyclobutyloxy-4-propylbenzene
PubChem CID178141621
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-cyclobutyloxy-4-propylbenzene
SMILESCCCc1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H18O/c1-2-4-11-7-9-13(10-8-11)14-12-5-3-6-12/h7-10,12H,2-6H2,1H3
InChIKeyMBMMHMUFETWBSC-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclobutyloxy-4-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(4-propylphenoxy)oxane
CID 178142370
1-[(1R,3R)-3-methylcyclopentyl]oxy-4-propylbenzene
CID 178142508
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
CID 95449970
N-methyl-2-(4-propylphenoxy)cyclopentan-1-amine
CID 55085230
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
1-cyclopentyloxy-3-ethyl-5-propylbenzene
CID 91071126
3-(4-cyclopentyloxyphenyl)propanenitrile
CID 82471335
2-[4-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107709492
1-cyclohexyloxy-4-hexylbenzene;propane-2-sulfinate
CID 91223415
1-[2-(4-cyclopentyloxyphenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227776
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-4-propylbenzene?
The IUPAC name of 1-cyclobutyloxy-4-propylbenzene (CID 178141621) is 1-cyclobutyloxy-4-propylbenzene.
What is the SMILES notation for 1-cyclobutyloxy-4-propylbenzene?
The canonical SMILES for 1-cyclobutyloxy-4-propylbenzene is CCCc1ccc(OC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyloxy-4-propylbenzene?
The InChIKey is MBMMHMUFETWBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-4-11-7-9-13(10-8-11)14-12-5-3-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-cyclobutyloxy-4-propylbenzene?
1-cyclobutyloxy-4-propylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-4-propylbenzene is sourced from PubChem (CID 178141621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).