4-ethyl-4-(3-methylphenyl)oxane

C14H20O — CID 143442460

IUPAC4-ethyl-4-(3-methylphenyl)oxane
SMILESCCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H20O/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyCTYRTVPTKPMZQO-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.45
Rot. Bonds2

About 4-ethyl-4-(3-methylphenyl)oxane

4-ethyl-4-(3-methylphenyl)oxane (PubChem CID 143442460) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4-ethyl-4-(3-methylphenyl)oxane.

Molecular Properties

Compound Name4-ethyl-4-(3-methylphenyl)oxane
PubChem CID143442460
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4-ethyl-4-(3-methylphenyl)oxane
SMILESCCC1(c2cccc(C)c2)CCOCC1
InChIInChI=1S/C14H20O/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3
InChIKeyCTYRTVPTKPMZQO-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
5-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]thiophene-2-sulfonamide
CID 46968329
[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
[2-(3-methylphenyl)oxetan-2-yl]methanol
CID 117258789
2-iodo-4-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]benzamide
CID 100528479
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
N-[[4-(3-methylphenyl)oxan-4-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 100517750
3-(3-methylphenyl)-3-(oxan-4-ylmethyl)azetidine
CID 79459804
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(3-methylphenyl)oxane?
The IUPAC name of 4-ethyl-4-(3-methylphenyl)oxane (CID 143442460) is 4-ethyl-4-(3-methylphenyl)oxane.
What is the SMILES notation for 4-ethyl-4-(3-methylphenyl)oxane?
The canonical SMILES for 4-ethyl-4-(3-methylphenyl)oxane is CCC1(c2cccc(C)c2)CCOCC1.
What is the InChIKey of 4-ethyl-4-(3-methylphenyl)oxane?
The InChIKey is CTYRTVPTKPMZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-14(7-9-15-10-8-14)13-6-4-5-12(2)11-13/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 4-ethyl-4-(3-methylphenyl)oxane?
4-ethyl-4-(3-methylphenyl)oxane has a molecular weight of 204.31 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(3-methylphenyl)oxane is sourced from PubChem (CID 143442460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).