1-methoxy-2-(2-methoxypropan-2-yl)benzene

C11H16O2 — CID 58091763

IUPAC1-methoxy-2-(2-methoxypropan-2-yl)benzene
SMILESCOc1ccccc1C(C)(C)OC
InChIInChI=1S/C11H16O2/c1-11(2,13-4)9-7-5-6-8-10(9)12-3/h5-8H,1-4H3
InChIKeyCNNPQQZPAAFAFP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.58
Rot. Bonds3

About 1-methoxy-2-(2-methoxypropan-2-yl)benzene

1-methoxy-2-(2-methoxypropan-2-yl)benzene (PubChem CID 58091763) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-2-(2-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methoxypropan-2-yl)benzene
PubChem CID58091763
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-2-(2-methoxypropan-2-yl)benzene
SMILESCOc1ccccc1C(C)(C)OC
InChIInChI=1S/C11H16O2/c1-11(2,13-4)9-7-5-6-8-10(9)12-3/h5-8H,1-4H3
InChIKeyCNNPQQZPAAFAFP-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[[dimethoxy-(2-methoxyphenyl)methyl]sulfanyl-dimethoxymethyl]-2-methoxybenzene
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ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-(2,6-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
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(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
3-hydroxy-3-(2-methoxyphenyl)butanenitrile
CID 79117864
(3R)-3-hydroxy-3-(2-methoxyphenyl)butan-2-one
CID 102236965
3-(2-methoxyphenyl)-N-methylpentan-3-amine
CID 163486951
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
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2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methoxypropan-2-yl)benzene?
The IUPAC name of 1-methoxy-2-(2-methoxypropan-2-yl)benzene (CID 58091763) is 1-methoxy-2-(2-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methoxypropan-2-yl)benzene is COc1ccccc1C(C)(C)OC.
What is the InChIKey of 1-methoxy-2-(2-methoxypropan-2-yl)benzene?
The InChIKey is CNNPQQZPAAFAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2,13-4)9-7-5-6-8-10(9)12-3/h5-8H,1-4H3.
What are the key properties of 1-methoxy-2-(2-methoxypropan-2-yl)benzene?
1-methoxy-2-(2-methoxypropan-2-yl)benzene has a molecular weight of 180.25 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methoxypropan-2-yl)benzene is sourced from PubChem (CID 58091763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).