3-(4-propylphenyl)oxane

C14H20O — CID 21248099

IUPAC3-(4-propylphenyl)oxane
SMILESCCCc1ccc(C2CCCOC2)cc1
InChIInChI=1S/C14H20O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPRWORLLFYAYCRW-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-propylphenyl)oxane

3-(4-propylphenyl)oxane (PubChem CID 21248099) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-(4-propylphenyl)oxane.

Molecular Properties

Compound Name3-(4-propylphenyl)oxane
PubChem CID21248099
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-(4-propylphenyl)oxane
SMILESCCCc1ccc(C2CCCOC2)cc1
InChIInChI=1S/C14H20O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3
InChIKeyPRWORLLFYAYCRW-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(4-propylphenyl)oxane 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

3-(4-propylphenyl)oxetane
CID 130361103
(3S)-3-(4-propylphenoxy)oxane
CID 178142370
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(3-bromocyclohexyl)-4-propylbenzene
CID 64506484
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
CID 141384048
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
4-[4-(oxolan-3-yl)phenyl]butan-1-amine
CID 117313253
3-(4-propylphenyl)cyclohexan-1-one
CID 64521897
2-butyl-5-(4-propylphenyl)oxane
CID 21247595
[4-(oxolan-3-yl)phenyl]methanamine
CID 83827764
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
3-[4-(4-methylcyclohexa-1,3-dien-1-yl)phenyl]oxane
CID 143189162

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylphenyl)oxane?
The IUPAC name of 3-(4-propylphenyl)oxane (CID 21248099) is 3-(4-propylphenyl)oxane.
What is the SMILES notation for 3-(4-propylphenyl)oxane?
The canonical SMILES for 3-(4-propylphenyl)oxane is CCCc1ccc(C2CCCOC2)cc1.
What is the InChIKey of 3-(4-propylphenyl)oxane?
The InChIKey is PRWORLLFYAYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-4-12-6-8-13(9-7-12)14-5-3-10-15-11-14/h6-9,14H,2-5,10-11H2,1H3.
What are the key properties of 3-(4-propylphenyl)oxane?
3-(4-propylphenyl)oxane has a molecular weight of 204.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylphenyl)oxane is sourced from PubChem (CID 21248099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).