1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene

C14H20O2 — CID 76670582

IUPAC1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
SMILESCOCCOc1ccc(C=CC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h4-9,12H,10-11H2,1-3H3
InChIKeyKETQUBRBQHCEMW-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds6

About 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene

1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene (PubChem CID 76670582) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
PubChem CID76670582
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene
SMILESCOCCOc1ccc(C=CC(C)C)cc1
InChIInChI=1S/C14H20O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h4-9,12H,10-11H2,1-3H3
InChIKeyKETQUBRBQHCEMW-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-1,3-di(propan-2-yl)benzene
CID 155632747
4-[4-(2-methoxyethoxy)phenyl]but-3-ene-1-thiol
CID 170478872
N-(hydroxymethyl)-2-[4-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]phenoxy]acetamide
CID 134394183
1-but-3-en-2-yl-4-(2-methoxyethoxy)benzene
CID 57090148
(E)-4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-en-2-ol
CID 113360091
1-(methoxymethoxy)-4-[2-[4-(methoxymethoxy)phenyl]ethenyl]benzene
CID 5098450
1,2-bis[4-(2-methoxyethoxy)phenyl]ethane-1,2-diamine
CID 101255138
1-(2-ethoxyethoxy)-4-[(E)-2-[4-(2-ethoxyethoxy)phenyl]ethenyl]benzene
CID 134394196
(E)-3-[4-(3-methylbutoxy)phenyl]prop-2-en-1-ol
CID 70597845
methyl 4-[(Z)-3-methylbut-1-enyl]benzoate
CID 11321666
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
2-[[3-[(E)-2-[4-(2-methoxyethoxy)phenyl]ethenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 131967080

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene?
The IUPAC name of 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene (CID 76670582) is 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene?
The canonical SMILES for 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene is COCCOc1ccc(C=CC(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene?
The InChIKey is KETQUBRBQHCEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(2)4-5-13-6-8-14(9-7-13)16-11-10-15-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene?
1-(2-methoxyethoxy)-4-(3-methylbut-1-enyl)benzene has a molecular weight of 220.31 g/mol, XLogP of 3.38, 6 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-methylbut-1-enyl)benzene is sourced from PubChem (CID 76670582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).