3-(4-propylphenyl)oxetane

C12H16O — CID 130361103

IUPAC3-(4-propylphenyl)oxetane
SMILESCCCc1ccc(C2COC2)cc1
InChIInChI=1S/C12H16O/c1-2-3-10-4-6-11(7-5-10)12-8-13-9-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyWRDFPRRVBQOTGU-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-propylphenyl)oxetane

3-(4-propylphenyl)oxetane (PubChem CID 130361103) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(4-propylphenyl)oxetane.

Molecular Properties

Compound Name3-(4-propylphenyl)oxetane
PubChem CID130361103
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-(4-propylphenyl)oxetane
SMILESCCCc1ccc(C2COC2)cc1
InChIInChI=1S/C12H16O/c1-2-3-10-4-6-11(7-5-10)12-8-13-9-12/h4-7,12H,2-3,8-9H2,1H3
InChIKeyWRDFPRRVBQOTGU-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-propylphenyl)oxane
CID 21248099
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
3,6-bis(4-propylphenyl)-1,2,4,5-tetraoxane
CID 25256858
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
(4S)-4-(4-propylphenyl)oxolan-3-one
CID 125425709
2,5-bis(4-propylphenyl)-1,3-dithiane
CID 88698105
N-(4-propylphenyl)oxetan-3-amine
CID 63624203
2-(4-pent-4-enylphenyl)-5-(4-propylphenyl)-1,3-dioxane
CID 139780584
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
(2R,5S)-2-(4-methylphenyl)-5-(4-propylphenyl)-1,4-dioxane
CID 54194992
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)oxetane?
The IUPAC name of 3-(4-propylphenyl)oxetane (CID 130361103) is 3-(4-propylphenyl)oxetane.
What is the SMILES notation for 3-(4-propylphenyl)oxetane?
The canonical SMILES for 3-(4-propylphenyl)oxetane is CCCc1ccc(C2COC2)cc1.
What is the InChIKey of 3-(4-propylphenyl)oxetane?
The InChIKey is WRDFPRRVBQOTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-10-4-6-11(7-5-10)12-8-13-9-12/h4-7,12H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-propylphenyl)oxetane?
3-(4-propylphenyl)oxetane has a molecular weight of 176.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)oxetane is sourced from PubChem (CID 130361103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).