1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene

C17H28O2 — CID 58900963

IUPAC1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
SMILESCCCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C17H28O2/c1-6-12-18-17(13(3)4)19-16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKeyOGNYSRAGEIRFHA-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.99
Rot. Bonds8

About 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene

1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene (PubChem CID 58900963) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
PubChem CID58900963
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
SMILESCCCOC(Oc1ccc(C(C)CC)cc1)C(C)C
InChIInChI=1S/C17H28O2/c1-6-12-18-17(13(3)4)19-16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17H,6-7,12H2,1-5H3
InChIKeyOGNYSRAGEIRFHA-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.99
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-butan-2-yl-4-(2-methyl-1-propoxypropoxy)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-butan-2-yl-4-(1-methoxy-2-methylpropoxy)benzene;methane
CID 162050346
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
CID 89343379
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-(1-ethoxy-2-methylpropoxy)-4-(5-methylhexan-3-yl)benzene
CID 144963504
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-(1-ethoxy-2-methylpropoxy)-4-(2,2,4-trimethylpentan-3-yl)benzene
CID 123686379

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene (CID 58900963) is 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene is CCCOC(Oc1ccc(C(C)CC)cc1)C(C)C.
What is the InChIKey of 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene?
The InChIKey is OGNYSRAGEIRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-6-12-18-17(13(3)4)19-16-10-8-15(9-11-16)14(5)7-2/h8-11,13-14,17H,6-7,12H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene?
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene has a molecular weight of 264.41 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene is sourced from PubChem (CID 58900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).