(1-propoxycyclobutyl)benzene

C13H18O — CID 57027852

IUPAC(1-propoxycyclobutyl)benzene
SMILESCCCOC1(c2ccccc2)CCC1
InChIInChI=1S/C13H18O/c1-2-11-14-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyHAMLNWVYBNVKIU-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.49
Rot. Bonds4

About (1-propoxycyclobutyl)benzene

(1-propoxycyclobutyl)benzene (PubChem CID 57027852) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1-propoxycyclobutyl)benzene.

Molecular Properties

Compound Name(1-propoxycyclobutyl)benzene
PubChem CID57027852
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1-propoxycyclobutyl)benzene
SMILESCCCOC1(c2ccccc2)CCC1
InChIInChI=1S/C13H18O/c1-2-11-14-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3
InChIKeyHAMLNWVYBNVKIU-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10317947
1-(3-chloropropyl)-4-phenyl-4-propoxypiperidine
CID 21395249
4-(5-methoxypentoxy)-4-phenylpiperidine
CID 173252036
3-(4-phenyl-4-propoxypiperidin-1-yl)-1-thiophen-2-ylpropan-1-one;hydrochloride
CID 173455258
[(3aS,6aS)-3a-phenyl-6a-propoxy-3,4,5,6-tetrahydrocyclopenta[b]furan-2-ylidene]ruthenium(1+)
CID 139255752
(1-butylcyclobutyl)benzene
CID 57200184
3-(2-ethylsulfanylethoxy)-3-phenyloxetane
CID 175289211
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
3-phenyl-3-propoxythiomorpholine
CID 91048753
4-[3-[4-(4-fluorophenyl)-4-propoxypiperidin-1-yl]propyl]-3,3-diphenylpyrrolidin-2-one
CID 57050352
1-ethoxy-4-phenylbicyclo[2.2.2]octane
CID 71328656
methane;(1-methylcyclopentyl)benzene
CID 143499824

Frequently Asked Questions

What is the IUPAC name of (1-propoxycyclobutyl)benzene?
The IUPAC name of (1-propoxycyclobutyl)benzene (CID 57027852) is (1-propoxycyclobutyl)benzene.
What is the SMILES notation for (1-propoxycyclobutyl)benzene?
The canonical SMILES for (1-propoxycyclobutyl)benzene is CCCOC1(c2ccccc2)CCC1.
What is the InChIKey of (1-propoxycyclobutyl)benzene?
The InChIKey is HAMLNWVYBNVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-11-14-13(9-6-10-13)12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3.
What are the key properties of (1-propoxycyclobutyl)benzene?
(1-propoxycyclobutyl)benzene has a molecular weight of 190.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propoxycyclobutyl)benzene is sourced from PubChem (CID 57027852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).