1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene

C21H34O2 — CID 58939680

IUPAC1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C21H34O2/c1-6-16(4)19-9-13-21(14-10-19)23-17(5)22-20-11-7-18(8-12-20)15(2)3/h9-10,13-18,20H,6-8,11-12H2,1-5H3
InChIKeyUIXCFDGLKSJYRC-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.16
Rot. Bonds7

About 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene

1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene (PubChem CID 58939680) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene
PubChem CID58939680
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene
SMILESCCC(C)c1ccc(OC(C)OC2CCC(C(C)C)CC2)cc1
InChIInChI=1S/C21H34O2/c1-6-16(4)19-9-13-21(14-10-19)23-17(5)22-20-11-7-18(8-12-20)15(2)3/h9-10,13-18,20H,6-8,11-12H2,1-5H3
InChIKeyUIXCFDGLKSJYRC-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.16
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

4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane
CID 118423859
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-(2-cyclopropyloxyethoxy)benzene
CID 166703301
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
tert-butyl [4-[6-[4-(1-cyclohexyloxyethoxy)phenyl]-2-(4-hydroxyphenyl)octan-4-yl]phenyl] carbonate
CID 54370516

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene?
The IUPAC name of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene (CID 58939680) is 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene.
What is the SMILES notation for 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene?
The canonical SMILES for 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene is CCC(C)c1ccc(OC(C)OC2CCC(C(C)C)CC2)cc1.
What is the InChIKey of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene?
The InChIKey is UIXCFDGLKSJYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2/c1-6-16(4)19-9-13-21(14-10-19)23-17(5)22-20-11-7-18(8-12-20)15(2)3/h9-10,13-18,20H,6-8,11-12H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene?
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene has a molecular weight of 318.50 g/mol, XLogP of 6.16, 7 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-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene is sourced from PubChem (CID 58939680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).