1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene

C20H34O2 — CID 123686379

IUPAC1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCCOC(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C20H34O2/c1-9-21-19(15(4)5)22-17-12-10-16(11-13-17)18(14(2)3)20(6,7)8/h10-15,18-19H,9H2,1-8H3
InChIKeyACTFOHNHEHQIDC-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.87
Rot. Bonds7

About 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene

1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene (PubChem CID 123686379) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
PubChem CID123686379
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
SMILESCCOC(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C20H34O2/c1-9-21-19(15(4)5)22-17-12-10-16(11-13-17)18(14(2)3)20(6,7)8/h10-15,18-19H,9H2,1-8H3
InChIKeyACTFOHNHEHQIDC-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)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

1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123735194
1-[4-(2,2,4-trimethylpentan-3-yl)phenoxy]propyl ethaneperoxoate
CID 123883984
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
1-(1-ethoxyethoxy)-4-(2,2,5-trimethylheptan-3-yl)benzene
CID 123183893
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
1-(2-ethoxypropyl)-2-(2-methylpentyl)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 143952490
1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1-[1-(2-cyclohexylethoxy)-2-methylpropoxy]-4-(5-methylhexan-3-yl)benzene
CID 144963476

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The IUPAC name of 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene (CID 123686379) is 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene.
What is the SMILES notation for 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The canonical SMILES for 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene is CCOC(Oc1ccc(C(C(C)C)C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
The InChIKey is ACTFOHNHEHQIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-9-21-19(15(4)5)22-17-12-10-16(11-13-17)18(14(2)3)20(6,7)8/h10-15,18-19H,9H2,1-8H3.
What are the key properties of 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene?
1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene has a molecular weight of 306.49 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene is sourced from PubChem (CID 123686379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).