1-(2,2-dimethylbutoxy)-4-methoxybenzene

C13H20O2 — CID 70980088

IUPAC1-(2,2-dimethylbutoxy)-4-methoxybenzene
SMILESCCC(C)(C)COc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-5-13(2,3)10-15-12-8-6-11(14-4)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyXMOVVRPQWUCWHK-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.51
Rot. Bonds5

About 1-(2,2-dimethylbutoxy)-4-methoxybenzene

1-(2,2-dimethylbutoxy)-4-methoxybenzene (PubChem CID 70980088) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,2-dimethylbutoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethylbutoxy)-4-methoxybenzene
PubChem CID70980088
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2,2-dimethylbutoxy)-4-methoxybenzene
SMILESCCC(C)(C)COc1ccc(OC)cc1
InChIInChI=1S/C13H20O2/c1-5-13(2,3)10-15-12-8-6-11(14-4)7-9-12/h6-9H,5,10H2,1-4H3
InChIKeyXMOVVRPQWUCWHK-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[4-[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]-2,2-dimethylpropoxy]phenyl]-N-(4-methoxyphenyl)aniline
CID 139670226
3-(4-methoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 11031093
1-(4-methoxyphenoxy)-2-methylpropan-2-amine
CID 18349748
1-(2,2-dimethylbutoxy)-3-[2-[3-(2,2-dimethylbutoxy)phenoxy]ethoxy]benzene
CID 20738671
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
N-[2-(4-methoxyphenoxy)ethyl]-3-methylpentan-3-amine
CID 113253720
3-(4-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019164
2-[4-(2,2-dimethylbutoxy)phenyl]sulfanyl-4,5-dimethylpyrimidine
CID 14255207
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(3,3-dimethylpentan-2-yl)-4-methoxybenzene
CID 173309676
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutoxy)-4-methoxybenzene?
The IUPAC name of 1-(2,2-dimethylbutoxy)-4-methoxybenzene (CID 70980088) is 1-(2,2-dimethylbutoxy)-4-methoxybenzene.
What is the SMILES notation for 1-(2,2-dimethylbutoxy)-4-methoxybenzene?
The canonical SMILES for 1-(2,2-dimethylbutoxy)-4-methoxybenzene is CCC(C)(C)COc1ccc(OC)cc1.
What is the InChIKey of 1-(2,2-dimethylbutoxy)-4-methoxybenzene?
The InChIKey is XMOVVRPQWUCWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-13(2,3)10-15-12-8-6-11(14-4)7-9-12/h6-9H,5,10H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutoxy)-4-methoxybenzene?
1-(2,2-dimethylbutoxy)-4-methoxybenzene has a molecular weight of 208.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutoxy)-4-methoxybenzene is sourced from PubChem (CID 70980088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).