1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene

C145H182O14 — CID 158697171

IUPAC1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)COc1cccc(Oc2ccc(C(C)C)cc2)c1.CC(C)c1ccc(Oc2cccc(OCC3CC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCCC3CCCCC3)c2)cc1.CCCCOc1cccc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H30O2.2C22H28O2.C21H26O2.C19H22O2.2C19H24O2/c1-18(2)20-11-13-21(14-12-20)25-23-10-6-9-22(17-23)24-16-15-19-7-4-3-5-8-19;2*1-17(2)19-11-13-20(14-12-19)24-22-10-6-9-21(15-22)23-16-18-7-4-3-5-8-18;1-16(2)18-10-12-19(13-11-18)23-21-9-5-8-20(14-21)22-15-17-6-3-4-7-17;1-14(2)16-8-10-17(11-9-16)21-19-5-3-4-18(12-19)20-13-15-6-7-15;1-14(2)13-20-18-6-5-7-19(12-18)21-17-10-8-16(9-11-17)15(3)4;1-4-5-13-20-18-7-6-8-19(14-18)21-17-11-9-16(10-12-17)15(2)3/h6,9-14,17-19H,3-5,7-8,15-16H2,1-2H3;2*6,9-15,17-18H,3-5,7-8,16H2,1-2H3;5,8-14,16-17H,3-4,6-7,15H2,1-2H3;3-5,8-12,14-15H,6-7,13H2,1-2H3;5-12,14-15H,13H2,1-4H3;6-12,14-15H,4-5,13H2,1-3H3
InChIKeyIHCADESHXQPLOG-UHFFFAOYSA-N
MW2149.04 g/mol
LogP43.06
Rot. Bonds44

About 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene

1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene (PubChem CID 158697171) has the molecular formula C145H182O14 and a molecular weight of 2149.04 g/mol. Its IUPAC name is 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene
PubChem CID158697171
Molecular FormulaC145H182O14
Molecular Weight2149.04 g/mol
Exact Mass2147.35
IUPAC Name1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene
SMILESCC(C)COc1cccc(Oc2ccc(C(C)C)cc2)c1.CC(C)c1ccc(Oc2cccc(OCC3CC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCCC3CCCCC3)c2)cc1.CCCCOc1cccc(Oc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H30O2.2C22H28O2.C21H26O2.C19H22O2.2C19H24O2/c1-18(2)20-11-13-21(14-12-20)25-23-10-6-9-22(17-23)24-16-15-19-7-4-3-5-8-19;2*1-17(2)19-11-13-20(14-12-19)24-22-10-6-9-21(15-22)23-16-18-7-4-3-5-8-18;1-16(2)18-10-12-19(13-11-18)23-21-9-5-8-20(14-21)22-15-17-6-3-4-7-17;1-14(2)16-8-10-17(11-9-16)21-19-5-3-4-18(12-19)20-13-15-6-7-15;1-14(2)13-20-18-6-5-7-19(12-18)21-17-10-8-16(9-11-17)15(3)4;1-4-5-13-20-18-7-6-8-19(14-18)21-17-11-9-16(10-12-17)15(2)3/h6,9-14,17-19H,3-5,7-8,15-16H2,1-2H3;2*6,9-15,17-18H,3-5,7-8,16H2,1-2H3;5,8-14,16-17H,3-4,6-7,15H2,1-2H3;3-5,8-12,14-15H,6-7,13H2,1-2H3;5-12,14-15H,13H2,1-4H3;6-12,14-15H,4-5,13H2,1-3H3
InChIKeyIHCADESHXQPLOG-UHFFFAOYSA-N
XLogP43.06
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds44
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002149.04
LogP ≤ 543.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene?
The IUPAC name of 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene (CID 158697171) is 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene?
The canonical SMILES for 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene is CC(C)COc1cccc(Oc2ccc(C(C)C)cc2)c1.CC(C)c1ccc(Oc2cccc(OCC3CC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCC3CCCCC3)c2)cc1.CC(C)c1ccc(Oc2cccc(OCCC3CCCCC3)c2)cc1.CCCCOc1cccc(Oc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene?
The InChIKey is IHCADESHXQPLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2.2C22H28O2.C21H26O2.C19H22O2.2C19H24O2/c1-18(2)20-11-13-21(14-12-20)25-23-10-6-9-22(17-23)24-16-15-19-7-4-3-5-8-19;2*1-17(2)19-11-13-20(14-12-19)24-22-10-6-9-21(15-22)23-16-18-7-4-3-5-8-18;1-16(2)18-10-12-19(13-11-18)23-21-9-5-8-20(14-21)22-15-17-6-3-4-7-17;1-14(2)16-8-10-17(11-9-16)21-19-5-3-4-18(12-19)20-13-15-6-7-15;1-14(2)13-20-18-6-5-7-19(12-18)21-17-10-8-16(9-11-17)15(3)4;1-4-5-13-20-18-7-6-8-19(14-18)21-17-11-9-16(10-12-17)15(2)3/h6,9-14,17-19H,3-5,7-8,15-16H2,1-2H3;2*6,9-15,17-18H,3-5,7-8,16H2,1-2H3;5,8-14,16-17H,3-4,6-7,15H2,1-2H3;3-5,8-12,14-15H,6-7,13H2,1-2H3;5-12,14-15H,13H2,1-4H3;6-12,14-15H,4-5,13H2,1-3H3.
What are the key properties of 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene?
1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene has a molecular weight of 2149.04 g/mol, XLogP of 43.06, 44 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(4-propan-2-ylphenoxy)benzene;1-(2-cyclohexylethoxy)-3-(4-propan-2-ylphenoxy)benzene;bis(1-(cyclohexylmethoxy)-3-(4-propan-2-ylphenoxy)benzene);1-(cyclopentylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(cyclopropylmethoxy)-3-(4-propan-2-ylphenoxy)benzene;1-(2-methylpropoxy)-3-(4-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 158697171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).