1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene

C25H36O2 — CID 145055463

IUPAC1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCc2ccc(C(CC)CC)cc2)cc1
InChIInChI=1S/C25H36O2/c1-6-19(4)23-13-15-25(16-14-23)27-20(5)26-18-17-21-9-11-24(12-10-21)22(7-2)8-3/h9-16,19-20,22H,6-8,17-18H2,1-5H3
InChIKeyRUQVUWIQCCUTFS-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.09
Rot. Bonds11

About 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene

1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene (PubChem CID 145055463) has the molecular formula C25H36O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
PubChem CID145055463
Molecular FormulaC25H36O2
Molecular Weight368.56 g/mol
Exact Mass368.27
IUPAC Name1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OCCc2ccc(C(CC)CC)cc2)cc1
InChIInChI=1S/C25H36O2/c1-6-19(4)23-13-15-25(16-14-23)27-20(5)26-18-17-21-9-11-24(12-10-21)22(7-2)8-3/h9-16,19-20,22H,6-8,17-18H2,1-5H3
InChIKeyRUQVUWIQCCUTFS-UHFFFAOYSA-N
XLogP7.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
2-[1-[4-[5-(4-propan-2-yloxyphenyl)hexan-3-yl]phenoxy]ethoxy]ethanol
CID 145290862
2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl furan-2-carboxylate
CID 20721855
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-[1-[2-(4-cyclohexylphenyl)ethoxy]-2-methylpropoxy]benzene
CID 89343379
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene (CID 145055463) is 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene is CCC(C)c1ccc(OC(C)OCCc2ccc(C(CC)CC)cc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene?
The InChIKey is RUQVUWIQCCUTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36O2/c1-6-19(4)23-13-15-25(16-14-23)27-20(5)26-18-17-21-9-11-24(12-10-21)22(7-2)8-3/h9-16,19-20,22H,6-8,17-18H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene?
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene has a molecular weight of 368.56 g/mol, XLogP of 7.09, 11 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-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene is sourced from PubChem (CID 145055463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).