1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol

C205H320O28 — CID 160809436

About 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol

1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol (PubChem CID 160809436) has the molecular formula C205H320O28 and a molecular weight of 3232.79 g/mol. Its IUPAC name is 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol.

Molecular Properties

• Compound Name: 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol
• PubChem CID: 160809436
• Molecular Formula: C205H320O28
• Molecular Weight: 3232.79 g/mol
• Exact Mass: 3230.36
• IUPAC Name: 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol
• SMILES: C=C(CCC)c1cccc(OCC2CCCCC2)c1.CCCC(C)c1cccc(OCC2CCCCC2)c1.CCCC(CO)c1cccc(OCC2CCCCC2)c1.CCCC(O)(CO)c1cccc(OCC2CCCCC2)c1.CCCC(O)c1cccc(OCC2CCC2)c1.CCCC(O)c1cccc(OCC2CCCC2)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCOc1cccc(OCC(CC)CC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.COCCOCCOCC(=O)CCCC(O)c1cccc(OCC2CCCCC2)c1
• InChI: InChI=1S/C24H38O6.C18H28O3.C18H28O2.C18H28O.C18H26O.C17H28O3.C16H24O2.C16H26O2.C15H24O3.C15H22O2.C15H24O2.C15H24O/c1-27-13-14-28-15-16-29-19-22(25)10-6-12-24(26)21-9-5-11-23(17-21)30-18-20-7-3-2-4-8-20;1-2-11-18(20,14-19)16-9-6-10-17(12-16)21-13-15-7-4-3-5-8-15;1-2-7-17(13-19)16-10-6-11-18(12-16)20-14-15-8-4-3-5-9-15;2*1-3-8-15(2)17-11-7-12-18(13-17)19-14-16-9-5-4-6-10-16;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-2-6-16(17)14-9-5-10-15(11-14)18-12-13-7-3-4-8-13;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3;1-2-5-15(16)13-8-4-9-14(10-13)17-11-12-6-3-7-12;1-4-10-16-14-8-7-9-15(11-14)17-12-13(5-2)6-3;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3/h5,9,11,17,20,24,26H,2-4,6-8,10,12-16,18-19H2,1H3;6,9-10,12,15,19-20H,2-5,7-8,11,13-14H2,1H3;6,10-12,15,17,19H,2-5,7-9,13-14H2,1H3;7,11-13,15-16H,3-6,8-10,14H2,1-2H3;7,11-13,16H,2-6,8-10,14H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;5,9-11,13,16-17H,2-4,6-8,12H2,1H3;8,10-12,17H,4-7,9,13H2,1-3H3;7-9,11,16H,4-6,10,12H2,1-3H3;4,8-10,12,15-16H,2-3,5-7,11H2,1H3;7-9,11,13H,4-6,10,12H2,1-3H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3
• InChIKey: SECVJTUWAYPHNZ-UHFFFAOYSA-N
• XLogP: 51.34
• TPSA: 365.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 95
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3232.79
LogP ≤ 5	51.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol?

The IUPAC name of 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol (CID 160809436) is 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol.

What is the SMILES notation for 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol?

The canonical SMILES for 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol is C=C(CCC)c1cccc(OCC2CCCCC2)c1.CCCC(C)c1cccc(OCC2CCCCC2)c1.CCCC(CO)c1cccc(OCC2CCCCC2)c1.CCCC(O)(CO)c1cccc(OCC2CCCCC2)c1.CCCC(O)c1cccc(OCC2CCC2)c1.CCCC(O)c1cccc(OCC2CCCC2)c1.CCCCc1cccc(OCC(O)(CC)CC)c1.CCCCc1cccc(OCCC(C)C)c1.CCCOc1cccc(OCC(CC)CC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.COCCOCCOCC(=O)CCCC(O)c1cccc(OCC2CCCCC2)c1.

What is the InChIKey of 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol?

The InChIKey is SECVJTUWAYPHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O6.C18H28O3.C18H28O2.C18H28O.C18H26O.C17H28O3.C16H24O2.C16H26O2.C15H24O3.C15H22O2.C15H24O2.C15H24O/c1-27-13-14-28-15-16-29-19-22(25)10-6-12-24(26)21-9-5-11-23(17-21)30-18-20-7-3-2-4-8-20;1-2-11-18(20,14-19)16-9-6-10-17(12-16)21-13-15-7-4-3-5-8-15;1-2-7-17(13-19)16-10-6-11-18(12-16)20-14-15-8-4-3-5-9-15;2*1-3-8-15(2)17-11-7-12-18(13-17)19-14-16-9-5-4-6-10-16;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-2-6-16(17)14-9-5-10-15(11-14)18-12-13-7-3-4-8-13;1-4-7-9-14-10-8-11-15(12-14)18-13-16(17,5-2)6-3;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3;1-2-5-15(16)13-8-4-9-14(10-13)17-11-12-6-3-7-12;1-4-10-16-14-8-7-9-15(11-14)17-12-13(5-2)6-3;1-4-5-7-14-8-6-9-15(12-14)16-11-10-13(2)3/h5,9,11,17,20,24,26H,2-4,6-8,10,12-16,18-19H2,1H3;6,9-10,12,15,19-20H,2-5,7-8,11,13-14H2,1H3;6,10-12,15,17,19H,2-5,7-9,13-14H2,1H3;7,11-13,15-16H,3-6,8-10,14H2,1-2H3;7,11-13,16H,2-6,8-10,14H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;5,9-11,13,16-17H,2-4,6-8,12H2,1H3;8,10-12,17H,4-7,9,13H2,1-3H3;7-9,11,16H,4-6,10,12H2,1-3H3;4,8-10,12,15-16H,2-3,5-7,11H2,1H3;7-9,11,13H,4-6,10,12H2,1-3H3;6,8-9,12-13H,4-5,7,10-11H2,1-3H3.

What are the key properties of 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol?

1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol has a molecular weight of 3232.79 g/mol, XLogP of 51.34, 95 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-(3-methylbutoxy)benzene;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-[3-(cyclobutylmethoxy)phenyl]butan-1-ol;1-(cyclohexylmethoxy)-3-pentan-2-ylbenzene;1-(cyclohexylmethoxy)-3-pent-1-en-2-ylbenzene;6-[3-(cyclohexylmethoxy)phenyl]-6-hydroxy-1-[2-(2-methoxyethoxy)ethoxy]hexan-2-one;2-[3-(cyclohexylmethoxy)phenyl]pentane-1,2-diol;2-[3-(cyclohexylmethoxy)phenyl]pentan-1-ol;1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;1-(2-ethylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol is sourced from PubChem (CID 160809436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).