ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene

C14H24O — CID 157281363

IUPACethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC.CCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H18O.C2H6/c1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H3
InChIKeyAZRXOFLAWBHKPH-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.45
Rot. Bonds2

About ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene

ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 157281363) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID157281363
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Nameethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC.CCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H18O.C2H6/c1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H3
InChIKeyAZRXOFLAWBHKPH-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-propylbenzene
CID 19097569
1-(chloromethyl)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 535218
1-(2-methylbutan-2-yloxy)-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167138182
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-ethyl-4-[fluoro(diiodo)methoxy]benzene
CID 163537570
1,4-diethylbenzene;ethane
CID 91207141
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-amine;hydrochloride
CID 170889301
ethene;1-ethoxy-4-[(2-methylpropan-2-yl)oxy]benzene
CID 174706040
1-methyl-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butyl]benzene
CID 172807239
1,4-diethylbenzene;ethane;methane
CID 166131756

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene (CID 157281363) is ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene is CC.CCc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is AZRXOFLAWBHKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C2H6/c1-5-10-6-8-11(9-7-10)13-12(2,3)4;1-2/h6-9H,5H2,1-4H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene?
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 208.34 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 157281363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).