3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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

C200H304O24 — CID 161448902

About 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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 161448902) has the molecular formula C200H304O24 and a molecular weight of 3092.61 g/mol. Its IUPAC name is 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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: 161448902
• Molecular Formula: C200H304O24
• Molecular Weight: 3092.61 g/mol
• Exact Mass: 3090.26
• IUPAC Name: 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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.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(CCC)COc1cccc([C@H](O)[C@H](C)CC)c1.CCCC(O)c1cccc(OCCCCOC)c1.CCCC(O)c1cccc(OCCOC)c1.CCCCCOc1cccc(C(O)CCC)c1.CCCCc1cccc(OCCCO)c1.CCCCc1cccc(OCCCOCc2ccccc2)c1.CCCCc1cccc(OCCCc2ccccc2)c1.CCCCc1cccc(OCCc2ccccc2)c1
• InChI: InChI=1S/C20H26O2.C19H32O2.C19H24O.2C18H30O2.C18H22O.2C16H26O2.C15H24O3.C15H24O2.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;1-5-9-16(10-6-2)14-21-18-12-8-11-17(13-18)19(20)15(4)7-3;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;1-2-3-8-17-11-7-12-18(15-17)19-14-13-16-9-5-4-6-10-16;2*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;1-3-5-6-11-17-14-10-7-9-13(12-14)15(16)8-4-2;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;8,11-13,15-16,19-20H,5-7,9-10,14H2,1-4H3;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;4-7,9-12,15H,2-3,8,13-14H2,1H3;2*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;7,9-10,12,15-16H,3-6,8,11H2,1-2H3;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;15-,19-;;2*17-;;2*15-;;;;/m.1.10.10..../s1
• InChIKey: WAGLVMJEPCDNOR-ZWMYOHRDSA-N
• XLogP: 49.64
• TPSA: 320.52 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 24
• Rotatable Bonds: 102
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3092.61
LogP ≤ 5	49.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	24

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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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 161448902) is 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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.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(CCC)COc1cccc([C@H](O)[C@H](C)CC)c1.CCCC(O)c1cccc(OCCCCOC)c1.CCCC(O)c1cccc(OCCOC)c1.CCCCCOc1cccc(C(O)CCC)c1.CCCCc1cccc(OCCCO)c1.CCCCc1cccc(OCCCOCc2ccccc2)c1.CCCCc1cccc(OCCCc2ccccc2)c1.CCCCc1cccc(OCCc2ccccc2)c1.

What is the InChIKey of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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 WAGLVMJEPCDNOR-ZWMYOHRDSA-N. The full InChI is InChI=1S/C20H26O2.C19H32O2.C19H24O.2C18H30O2.C18H22O.2C16H26O2.C15H24O3.C15H24O2.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;1-5-9-16(10-6-2)14-21-18-12-8-11-17(13-18)19(20)15(4)7-3;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;1-2-3-8-17-11-7-12-18(15-17)19-14-13-16-9-5-4-6-10-16;2*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;1-3-5-6-11-17-14-10-7-9-13(12-14)15(16)8-4-2;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;8,11-13,15-16,19-20H,5-7,9-10,14H2,1-4H3;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;4-7,9-12,15H,2-3,8,13-14H2,1H3;2*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;7,9-10,12,15-16H,3-6,8,11H2,1-2H3;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;15-,19-;;2*17-;;2*15-;;;;/m.1.10.10..../s1.

What are the key properties of 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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 3092.61 g/mol, XLogP of 49.64, 102 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-butylphenoxy)propan-1-ol;1-butyl-3-(2-phenylethoxy)benzene;1-butyl-3-(3-phenylmethoxypropoxy)benzene;1-butyl-3-(3-phenylpropoxy)benzene;(2S)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;(2R)-1-[3-(2-ethylbutoxy)phenyl]butan-2-ol;1-[3-(4-methoxybutoxy)phenyl]butan-1-ol;1-[3-(2-methoxyethoxy)phenyl]butan-1-ol;(1R,2R)-2-methyl-1-[3-(2-propylpentoxy)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 161448902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).