ethane;4-(4-ethylphenyl)oxane

C15H24O — CID 145044637

IUPACethane;4-(4-ethylphenyl)oxane
SMILESCC.CCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C13H18O.C2H6/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3
InChIKeyAVUZREQZKAGKJC-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.17
Rot. Bonds2

About ethane;4-(4-ethylphenyl)oxane

ethane;4-(4-ethylphenyl)oxane (PubChem CID 145044637) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;4-(4-ethylphenyl)oxane.

Molecular Properties

Compound Nameethane;4-(4-ethylphenyl)oxane
PubChem CID145044637
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;4-(4-ethylphenyl)oxane
SMILESCC.CCc1ccc(C2CCOCC2)cc1
InChIInChI=1S/C13H18O.C2H6/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3
InChIKeyAVUZREQZKAGKJC-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(4-methylphenyl)oxane
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ethane;1-ethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
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3-[4-(oxan-4-yl)phenyl]propan-1-ol
CID 117314572
4-(4-ethyl-2-fluorophenyl)oxane
CID 149055517
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
4-(4-ethylphenyl)-1-propan-2-ylpiperidine
CID 69073931
1-[[4-(oxan-4-yl)phenyl]methyl]piperazine
CID 117405519
1,4-diethylbenzene;ethane
CID 91207141
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CID 83827764

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-ethylphenyl)oxane?
The IUPAC name of ethane;4-(4-ethylphenyl)oxane (CID 145044637) is ethane;4-(4-ethylphenyl)oxane.
What is the SMILES notation for ethane;4-(4-ethylphenyl)oxane?
The canonical SMILES for ethane;4-(4-ethylphenyl)oxane is CC.CCc1ccc(C2CCOCC2)cc1.
What is the InChIKey of ethane;4-(4-ethylphenyl)oxane?
The InChIKey is AVUZREQZKAGKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13;1-2/h3-6,13H,2,7-10H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-ethylphenyl)oxane?
ethane;4-(4-ethylphenyl)oxane has a molecular weight of 220.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-ethylphenyl)oxane is sourced from PubChem (CID 145044637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).