ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene

C15H26O — CID 142361256

IUPACethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
SMILESCC.CC(C)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H20O.C2H6/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-2/h5-8,10-11H,9H2,1-4H3;1-2H3
InChIKeyQQNQQOUQOXSJJT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.87
Rot. Bonds4

About ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene

ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene (PubChem CID 142361256) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
PubChem CID142361256
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Nameethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
SMILESCC.CC(C)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H20O.C2H6/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-2/h5-8,10-11H,9H2,1-4H3;1-2H3
InChIKeyQQNQQOUQOXSJJT-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
CID 62041686
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
(1R)-N-(2-methoxyethyl)-1-[3-(2-methylpropoxy)phenyl]ethanamine
CID 100557587
(2R,3R)-2-methyl-3-[3-(2-methylpropoxy)phenyl]pentanoic acid
CID 125468008

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The IUPAC name of ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene (CID 142361256) is ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The canonical SMILES for ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene is CC.CC(C)COc1cccc(C(C)C)c1.
What is the InChIKey of ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The InChIKey is QQNQQOUQOXSJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C2H6/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4;1-2/h5-8,10-11H,9H2,1-4H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene?
ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene has a molecular weight of 222.37 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene is sourced from PubChem (CID 142361256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).