4-[2-methyl-1-(4-methylphenyl)propyl]oxane

C16H24O — CID 170430270

IUPAC4-[2-methyl-1-(4-methylphenyl)propyl]oxane
SMILESCc1ccc(C(C(C)C)C2CCOCC2)cc1
InChIInChI=1S/C16H24O/c1-12(2)16(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyWWJUFJDYQXGRMR-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.16
Rot. Bonds3

About 4-[2-methyl-1-(4-methylphenyl)propyl]oxane

4-[2-methyl-1-(4-methylphenyl)propyl]oxane (PubChem CID 170430270) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[2-methyl-1-(4-methylphenyl)propyl]oxane.

Molecular Properties

Compound Name4-[2-methyl-1-(4-methylphenyl)propyl]oxane
PubChem CID170430270
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-[2-methyl-1-(4-methylphenyl)propyl]oxane
SMILESCc1ccc(C(C(C)C)C2CCOCC2)cc1
InChIInChI=1S/C16H24O/c1-12(2)16(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyWWJUFJDYQXGRMR-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(4-methylphenyl)-(oxolan-3-yl)methanamine
CID 61271786
4-[1-(oxan-4-yl)ethyl]aniline
CID 115024237
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
4-[2,2-difluoro-1-(oxan-4-yl)ethyl]aniline
CID 115044138
4-[1-(oxepan-4-yl)ethyl]phenol
CID 147128517
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
4-(4-methylphenyl)oxane
CID 46222621
4-[2,2-difluoro-1-(oxan-4-yl)ethyl]benzaldehyde
CID 115047309
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
CID 62383540
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
(S)-(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanamine
CID 131582096

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(4-methylphenyl)propyl]oxane?
The IUPAC name of 4-[2-methyl-1-(4-methylphenyl)propyl]oxane (CID 170430270) is 4-[2-methyl-1-(4-methylphenyl)propyl]oxane.
What is the SMILES notation for 4-[2-methyl-1-(4-methylphenyl)propyl]oxane?
The canonical SMILES for 4-[2-methyl-1-(4-methylphenyl)propyl]oxane is Cc1ccc(C(C(C)C)C2CCOCC2)cc1.
What is the InChIKey of 4-[2-methyl-1-(4-methylphenyl)propyl]oxane?
The InChIKey is WWJUFJDYQXGRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-12(2)16(15-8-10-17-11-9-15)14-6-4-13(3)5-7-14/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of 4-[2-methyl-1-(4-methylphenyl)propyl]oxane?
4-[2-methyl-1-(4-methylphenyl)propyl]oxane has a molecular weight of 232.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(4-methylphenyl)propyl]oxane is sourced from PubChem (CID 170430270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).