1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene

C147H228O20 — CID 160517184

About 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene

1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene (PubChem CID 160517184) has the molecular formula C147H228O20 and a molecular weight of 2315.42 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene.

Molecular Properties

• Compound Name: 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene
• PubChem CID: 160517184
• Molecular Formula: C147H228O20
• Molecular Weight: 2315.42 g/mol
• Exact Mass: 2313.68
• IUPAC Name: 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene
• SMILES: CCC(CC)COc1cccc(O[C@H](C)CC)c1.CCCOc1cc(OCC2CCCCC2)ccc1C.CCCOc1cccc(OCC(CC)CC)c1.CCCOc1cccc(OCC(CCC)CCC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2CCCCC2)c1C.CCCOc1cccc(OCCC(C)C)c1.CCCOc1cccc(OCCCCc2ccccc2)c1
• InChI: InChI=1S/C19H24O2.C17H28O3.2C17H26O2.C17H28O2.C16H26O2.C15H24O3.C15H24O2.C14H22O2/c1-2-14-20-18-12-8-13-19(16-18)21-15-7-6-11-17-9-4-3-5-10-17;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-3-12-18-16-10-7-11-17(14(16)2)19-13-15-8-5-4-6-9-15;1-3-11-18-17-12-16(10-9-14(17)2)19-13-15-7-5-4-6-8-15;1-4-8-15(9-5-2)14-19-17-11-7-10-16(13-17)18-12-6-3;1-5-13(4)18-16-10-8-9-15(11-16)17-12-14(6-2)7-3;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3;1-4-10-16-14-8-7-9-15(11-14)17-12-13(5-2)6-3;1-4-9-15-13-6-5-7-14(11-13)16-10-8-12(2)3/h3-5,8-10,12-13,16H,2,6-7,11,14-15H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;7,10-11,15H,3-6,8-9,12-13H2,1-2H3;9-10,12,15H,3-8,11,13H2,1-2H3;7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3;8-11,13-14H,5-7,12H2,1-4H3;7-9,11,16H,4-6,10,12H2,1-3H3;7-9,11,13H,4-6,10,12H2,1-3H3;5-7,11-12H,4,8-10H2,1-3H3/t;;;;;13-;;;/m.....1.../s1
• InChIKey: QTUPDZQCOFKVON-ZJARNMGMSA-N
• XLogP: 39.89
• TPSA: 206.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 72
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2315.42
LogP ≤ 5	39.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene?

The IUPAC name of 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene (CID 160517184) is 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene.

What is the SMILES notation for 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene?

The canonical SMILES for 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene is CCC(CC)COc1cccc(O[C@H](C)CC)c1.CCCOc1cc(OCC2CCCCC2)ccc1C.CCCOc1cccc(OCC(CC)CC)c1.CCCOc1cccc(OCC(CCC)CCC)c1.CCCOc1cccc(OCC(O)(CC)CC)c1.CCCOc1cccc(OCC(O)(CCC)CCC)c1.CCCOc1cccc(OCC2CCCCC2)c1C.CCCOc1cccc(OCCC(C)C)c1.CCCOc1cccc(OCCCCc2ccccc2)c1.

What is the InChIKey of 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene?

The InChIKey is QTUPDZQCOFKVON-ZJARNMGMSA-N. The full InChI is InChI=1S/C19H24O2.C17H28O3.2C17H26O2.C17H28O2.C16H26O2.C15H24O3.C15H24O2.C14H22O2/c1-2-14-20-18-12-8-13-19(16-18)21-15-7-6-11-17-9-4-3-5-10-17;1-4-10-17(18,11-5-2)14-20-16-9-7-8-15(13-16)19-12-6-3;1-3-12-18-16-10-7-11-17(14(16)2)19-13-15-8-5-4-6-9-15;1-3-11-18-17-12-16(10-9-14(17)2)19-13-15-7-5-4-6-8-15;1-4-8-15(9-5-2)14-19-17-11-7-10-16(13-17)18-12-6-3;1-5-13(4)18-16-10-8-9-15(11-16)17-12-14(6-2)7-3;1-4-10-17-13-8-7-9-14(11-13)18-12-15(16,5-2)6-3;1-4-10-16-14-8-7-9-15(11-14)17-12-13(5-2)6-3;1-4-9-15-13-6-5-7-14(11-13)16-10-8-12(2)3/h3-5,8-10,12-13,16H,2,6-7,11,14-15H2,1H3;7-9,13,18H,4-6,10-12,14H2,1-3H3;7,10-11,15H,3-6,8-9,12-13H2,1-2H3;9-10,12,15H,3-8,11,13H2,1-2H3;7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3;8-11,13-14H,5-7,12H2,1-4H3;7-9,11,16H,4-6,10,12H2,1-3H3;7-9,11,13H,4-6,10,12H2,1-3H3;5-7,11-12H,4,8-10H2,1-3H3/t;;;;;13-;;;/m.....1.../s1.

What are the key properties of 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene?

1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene has a molecular weight of 2315.42 g/mol, XLogP of 39.89, 72 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(2-ethylbutoxy)-3-propoxybenzene;1-(3-methylbutoxy)-3-propoxybenzene;1-(4-phenylbutoxy)-3-propoxybenzene;4-[(3-propoxyphenoxy)methyl]heptan-4-ol;3-[(3-propoxyphenoxy)methyl]pentan-3-ol;1-propoxy-3-(2-propylpentoxy)benzene is sourced from PubChem (CID 160517184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).