3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol

C195H294O26 — CID 161399636

About 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol

3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol (PubChem CID 161399636) has the molecular formula C195H294O26 and a molecular weight of 3054.47 g/mol. Its IUPAC name is 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol.

Molecular Properties

• Compound Name: 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
• PubChem CID: 161399636
• Molecular Formula: C195H294O26
• Molecular Weight: 3054.47 g/mol
• Exact Mass: 3052.17
• IUPAC Name: 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol
• SMILES: CCC(CC)COc1cccc(C[C@@H](O)CC)c1.CCCC(CCC)COc1cccc(C[C@@H](O)CC)c1.CCCC(CCC)COc1cccc(C[C@H](O)CC)c1.CCCC(O)c1cccc(OCCC(C)C)c1.CCCC(O)c1cccc(OCCCCOC)c1.CCCC(O)c1cccc(OCCCOC)c1.CCCC(O)c1cccc(OCCOC)c1.CCCCCOc1cccc(C(O)CCC)c1.CCCCc1cccc(OCCCO)c1.CCCCc1cccc(OCCCOCc2ccccc2)c1.CCCCc1cccc(OCCCc2ccccc2)c1.CCCCc1cccc(OCCOCc2ccccc2)c1
• InChI: InChI=1S/C20H26O2.C19H24O2.C19H24O.2C18H30O2.C16H26O2.C15H24O3.2C15H24O2.C14H22O3.C13H20O3.C13H20O2/c1-2-3-9-18-12-7-13-20(16-18)22-15-8-14-21-17-19-10-5-4-6-11-19;1-2-3-8-17-11-7-12-19(15-17)21-14-13-20-16-18-9-5-4-6-10-18;1-2-3-9-18-12-7-14-19(16-18)20-15-8-13-17-10-5-4-6-11-17;2*1-4-8-15(9-5-2)14-20-18-11-7-10-16(13-18)12-17(19)6-3;1-4-13(5-2)12-18-16-9-7-8-14(11-16)10-15(17)6-3;1-3-7-15(16)13-8-6-9-14(12-13)18-11-5-4-10-17-2;1-4-6-15(16)13-7-5-8-14(11-13)17-10-9-12(2)3;1-3-5-6-11-17-14-10-7-9-13(12-14)15(16)8-4-2;1-3-6-14(15)12-7-4-8-13(11-12)17-10-5-9-16-2;1-3-5-13(14)11-6-4-7-12(10-11)16-9-8-15-2;1-2-3-6-12-7-4-8-13(11-12)15-10-5-9-14/h4-7,10-13,16H,2-3,8-9,14-15,17H2,1H3;4-7,9-12,15H,2-3,8,13-14,16H2,1H3;4-7,10-12,14,16H,2-3,8-9,13,15H2,1H3;2*7,10-11,13,15,17,19H,4-6,8-9,12,14H2,1-3H3;7-9,11,13,15,17H,4-6,10,12H2,1-3H3;6,8-9,12,15-16H,3-5,7,10-11H2,1-2H3;5,7-8,11-12,15-16H,4,6,9-10H2,1-3H3;7,9-10,12,15-16H,3-6,8,11H2,1-2H3;4,7-8,11,14-15H,3,5-6,9-10H2,1-2H3;4,6-7,10,13-14H,3,5,8-9H2,1-2H3;4,7-8,11,14H,2-3,5-6,9-10H2,1H3/t;;;2*17-;15-;;;;;;/m...100....../s1
• InChIKey: VUBHNVMSZYCFEX-YYRHMDFTSA-N
• XLogP: 47.32
• TPSA: 338.98 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 101
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3054.47
LogP ≤ 5	47.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?

The IUPAC name of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol (CID 161399636) is 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol.

What is the SMILES notation for 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?

The canonical SMILES for 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol is CCC(CC)COc1cccc(C[C@@H](O)CC)c1.CCCC(CCC)COc1cccc(C[C@@H](O)CC)c1.CCCC(CCC)COc1cccc(C[C@H](O)CC)c1.CCCC(O)c1cccc(OCCC(C)C)c1.CCCC(O)c1cccc(OCCCCOC)c1.CCCC(O)c1cccc(OCCCOC)c1.CCCC(O)c1cccc(OCCOC)c1.CCCCCOc1cccc(C(O)CCC)c1.CCCCc1cccc(OCCCO)c1.CCCCc1cccc(OCCCOCc2ccccc2)c1.CCCCc1cccc(OCCCc2ccccc2)c1.CCCCc1cccc(OCCOCc2ccccc2)c1.

What is the InChIKey of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?

The InChIKey is VUBHNVMSZYCFEX-YYRHMDFTSA-N. The full InChI is InChI=1S/C20H26O2.C19H24O2.C19H24O.2C18H30O2.C16H26O2.C15H24O3.2C15H24O2.C14H22O3.C13H20O3.C13H20O2/c1-2-3-9-18-12-7-13-20(16-18)22-15-8-14-21-17-19-10-5-4-6-11-19;1-2-3-8-17-11-7-12-19(15-17)21-14-13-20-16-18-9-5-4-6-10-18;1-2-3-9-18-12-7-14-19(16-18)20-15-8-13-17-10-5-4-6-11-17;2*1-4-8-15(9-5-2)14-20-18-11-7-10-16(13-18)12-17(19)6-3;1-4-13(5-2)12-18-16-9-7-8-14(11-16)10-15(17)6-3;1-3-7-15(16)13-8-6-9-14(12-13)18-11-5-4-10-17-2;1-4-6-15(16)13-7-5-8-14(11-13)17-10-9-12(2)3;1-3-5-6-11-17-14-10-7-9-13(12-14)15(16)8-4-2;1-3-6-14(15)12-7-4-8-13(11-12)17-10-5-9-16-2;1-3-5-13(14)11-6-4-7-12(10-11)16-9-8-15-2;1-2-3-6-12-7-4-8-13(11-12)15-10-5-9-14/h4-7,10-13,16H,2-3,8-9,14-15,17H2,1H3;4-7,9-12,15H,2-3,8,13-14,16H2,1H3;4-7,10-12,14,16H,2-3,8-9,13,15H2,1H3;2*7,10-11,13,15,17,19H,4-6,8-9,12,14H2,1-3H3;7-9,11,13,15,17H,4-6,10,12H2,1-3H3;6,8-9,12,15-16H,3-5,7,10-11H2,1-2H3;5,7-8,11-12,15-16H,4,6,9-10H2,1-3H3;7,9-10,12,15-16H,3-6,8,11H2,1-2H3;4,7-8,11,14-15H,3,5-6,9-10H2,1-2H3;4,6-7,10,13-14H,3,5,8-9H2,1-2H3;4,7-8,11,14H,2-3,5-6,9-10H2,1H3/t;;;2*17-;15-;;;;;;/m...100....../s1.

What are the key properties of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol?

3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol has a molecular weight of 3054.47 g/mol, XLogP of 47.32, 101 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylmethoxyethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;1-[3-(3-methoxypropoxy)phenyl]butan-1-ol;1-[3-(3-methylbutoxy)phenyl]butan-1-ol;1-(3-pentoxyphenyl)butan-1-ol;(2S)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-propylpentoxy)phenyl]butan-2-ol is sourced from PubChem (CID 161399636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).