[4-methoxy-2-(2-methoxyethyl)butyl]benzene

C14H22O2 — CID 175035100

IUPAC[4-methoxy-2-(2-methoxyethyl)butyl]benzene
SMILESCOCCC(CCOC)Cc1ccccc1
InChIInChI=1S/C14H22O2/c1-15-10-8-14(9-11-16-2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyOKQJPRLHSGDXNG-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.92
Rot. Bonds8

About [4-methoxy-2-(2-methoxyethyl)butyl]benzene

[4-methoxy-2-(2-methoxyethyl)butyl]benzene (PubChem CID 175035100) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [4-methoxy-2-(2-methoxyethyl)butyl]benzene.

Molecular Properties

Compound Name[4-methoxy-2-(2-methoxyethyl)butyl]benzene
PubChem CID175035100
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[4-methoxy-2-(2-methoxyethyl)butyl]benzene
SMILESCOCCC(CCOC)Cc1ccccc1
InChIInChI=1S/C14H22O2/c1-15-10-8-14(9-11-16-2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKeyOKQJPRLHSGDXNG-UHFFFAOYSA-N
XLogP2.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(chloromethyl)-4-methoxybutyl]benzene
CID 66034058
2-benzyl-4-methoxy-N-(2-methylpropyl)butan-1-amine
CID 62530667
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
[2-(bromomethyl)-6-methoxyhexyl]benzene
CID 104650695
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
[(1R,2S)-2-benzyl-1-deuterio-3-methoxypropyl]benzene
CID 136901487
1-[2-(chloromethyl)-4-methoxybutyl]-3-methoxybenzene
CID 66050110
5-methoxy-1-phenylpentan-2-amine
CID 62608693
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-benzyl-N-tert-butyl-6-methoxyhexan-1-amine
CID 104649162
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(2-methoxyethyl)butyl]benzene?
The IUPAC name of [4-methoxy-2-(2-methoxyethyl)butyl]benzene (CID 175035100) is [4-methoxy-2-(2-methoxyethyl)butyl]benzene.
What is the SMILES notation for [4-methoxy-2-(2-methoxyethyl)butyl]benzene?
The canonical SMILES for [4-methoxy-2-(2-methoxyethyl)butyl]benzene is COCCC(CCOC)Cc1ccccc1.
What is the InChIKey of [4-methoxy-2-(2-methoxyethyl)butyl]benzene?
The InChIKey is OKQJPRLHSGDXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-15-10-8-14(9-11-16-2)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3.
What are the key properties of [4-methoxy-2-(2-methoxyethyl)butyl]benzene?
[4-methoxy-2-(2-methoxyethyl)butyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(2-methoxyethyl)butyl]benzene is sourced from PubChem (CID 175035100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).