2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene

C14H22O2 — CID 122595271

IUPAC2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
SMILESCC(COCc1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H22O2/c1-12(16-14(2,3)4)10-15-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyNNUUZMVJCGMOCC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene

2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene (PubChem CID 122595271) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
PubChem CID122595271
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
SMILESCC(COCc1ccccc1)OC(C)(C)C
InChIInChI=1S/C14H22O2/c1-12(16-14(2,3)4)10-15-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3
InChIKeyNNUUZMVJCGMOCC-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
2,2-di(propan-2-yloxy)ethoxymethylbenzene
CID 102410390
(2R)-N,N-dimethyl-1-phenylmethoxypropan-2-amine
CID 165125005
CID 89311949
CID 89311949
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
3-fluoro-3-methyl-1-phenylmethoxybutan-2-ol
CID 14003288
N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(2-ethyl-3-methylbutoxy)methylbenzene
CID 90754542

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene (CID 122595271) is 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene is CC(COCc1ccccc1)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene?
The InChIKey is NNUUZMVJCGMOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(16-14(2,3)4)10-15-11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene?
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene is sourced from PubChem (CID 122595271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).