1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene

C14H22O2 — CID 156727019

IUPAC1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
SMILESCOCCOc1ccc(CCC(C)C)cc1
InChIInChI=1S/C14H22O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFGGUQUWOVBRRAA-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.30
Rot. Bonds7

About 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene

1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene (PubChem CID 156727019) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
PubChem CID156727019
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
SMILESCOCCOc1ccc(CCC(C)C)cc1
InChIInChI=1S/C14H22O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h6-9,12H,4-5,10-11H2,1-3H3
InChIKeyFGGUQUWOVBRRAA-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]-3-methylbutan-1-amine
CID 55093446
4-[4-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 103408958
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
3-[4-(2-methoxyethoxy)phenyl]propanenitrile
CID 98014003
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
methyl 3-[4-(11-methyldodecoxy)phenyl]propanoate
CID 15616993
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene (CID 156727019) is 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene is COCCOc1ccc(CCC(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene?
The InChIKey is FGGUQUWOVBRRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h6-9,12H,4-5,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene?
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene has a molecular weight of 222.33 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene is sourced from PubChem (CID 156727019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).