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

C13H20O — CID 23399142

IUPAC1-(2-methylpropoxy)-3-propan-2-ylbenzene
SMILESCC(C)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyCIAHALKYGGHIQM-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.84
Rot. Bonds4

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

1-(2-methylpropoxy)-3-propan-2-ylbenzene (PubChem CID 23399142) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2-methylpropoxy)-3-propan-2-ylbenzene
PubChem CID23399142
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-(2-methylpropoxy)-3-propan-2-ylbenzene
SMILESCC(C)COc1cccc(C(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4/h5-8,10-11H,9H2,1-4H3
InChIKeyCIAHALKYGGHIQM-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 142361256
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
1-(2-bromo-3,3,3-trifluoropropoxy)-3-propan-2-ylbenzene
CID 64758716
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
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 1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The IUPAC name of 1-(2-methylpropoxy)-3-propan-2-ylbenzene (CID 23399142) is 1-(2-methylpropoxy)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The canonical SMILES for 1-(2-methylpropoxy)-3-propan-2-ylbenzene is CC(C)COc1cccc(C(C)C)c1.
What is the InChIKey of 1-(2-methylpropoxy)-3-propan-2-ylbenzene?
The InChIKey is CIAHALKYGGHIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)9-14-13-7-5-6-12(8-13)11(3)4/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 1-(2-methylpropoxy)-3-propan-2-ylbenzene?
1-(2-methylpropoxy)-3-propan-2-ylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-3-propan-2-ylbenzene is sourced from PubChem (CID 23399142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).