1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol

C137H210N2O26 — CID 158844864

About 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol

1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol (PubChem CID 158844864) has the molecular formula C137H210N2O26 and a molecular weight of 2301.17 g/mol. Its IUPAC name is 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol.

Molecular Properties

• Compound Name: 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol
• PubChem CID: 158844864
• Molecular Formula: C137H210N2O26
• Molecular Weight: 2301.17 g/mol
• Exact Mass: 2299.52
• IUPAC Name: 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol
• SMILES: CCCC(O)COc1cccc(C(O)CCC)c1.CCCC(O)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)C(C)C)c1.CCCC(O)c1cccc(OCC(O)c2ccccc2)c1.CCCC(O)c1cccc(OCCCC(=O)N(C)C)c1.CCCC(O)c1cccc(OCCCC(N)=O)c1.CCCC(O)c1cccc(OCCCCCO)c1.CCCC(O)c1cccc(OCCCCO)c1.CCCCc1cccc(OCC(O)C(C)C)c1
• InChI: InChI=1S/C18H22O3.C16H25NO3.4C15H24O3.C15H24O2.C14H21NO3.C14H22O3/c1-2-7-17(19)15-10-6-11-16(12-15)21-13-18(20)14-8-4-3-5-9-14;1-4-7-15(18)13-8-5-9-14(12-13)20-11-6-10-16(19)17(2)3;1-4-6-14(16)12-7-5-8-13(9-12)18-10-15(17)11(2)3;2*1-3-6-13(16)11-18-14-9-5-8-12(10-14)15(17)7-4-2;1-2-7-15(17)13-8-6-9-14(12-13)18-11-5-3-4-10-16;1-4-5-7-13-8-6-9-14(10-13)17-11-15(16)12(2)3;1-2-5-13(16)11-6-3-7-12(10-11)18-9-4-8-14(15)17;1-2-6-14(16)12-7-5-8-13(11-12)17-10-4-3-9-15/h3-6,8-12,17-20H,2,7,13H2,1H3;5,8-9,12,15,18H,4,6-7,10-11H2,1-3H3;5,7-9,11,14-17H,4,6,10H2,1-3H3;2*5,8-10,13,15-17H,3-4,6-7,11H2,1-2H3;6,8-9,12,15-17H,2-5,7,10-11H2,1H3;6,8-10,12,15-16H,4-5,7,11H2,1-3H3;3,6-7,10,13,16H,2,4-5,8-9H2,1H3,(H2,15,17);5,7-8,11,14-16H,2-4,6,9-10H2,1H3
• InChIKey: IYRRPWUCEMLKNT-UHFFFAOYSA-N
• XLogP: 26.76
• TPSA: 449.92 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 26
• Rotatable Bonds: 70
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.17
LogP ≤ 5	26.76
H-Bond Donors ≤ 5	16
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 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol?

The IUPAC name of 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol (CID 158844864) is 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol.

What is the SMILES notation for 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol?

The canonical SMILES for 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol is CCCC(O)COc1cccc(C(O)CCC)c1.CCCC(O)COc1cccc(C(O)CCC)c1.CCCC(O)c1cccc(OCC(O)C(C)C)c1.CCCC(O)c1cccc(OCC(O)c2ccccc2)c1.CCCC(O)c1cccc(OCCCC(=O)N(C)C)c1.CCCC(O)c1cccc(OCCCC(N)=O)c1.CCCC(O)c1cccc(OCCCCCO)c1.CCCC(O)c1cccc(OCCCCO)c1.CCCCc1cccc(OCC(O)C(C)C)c1.

What is the InChIKey of 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol?

The InChIKey is IYRRPWUCEMLKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3.C16H25NO3.4C15H24O3.C15H24O2.C14H21NO3.C14H22O3/c1-2-7-17(19)15-10-6-11-16(12-15)21-13-18(20)14-8-4-3-5-9-14;1-4-7-15(18)13-8-5-9-14(12-13)20-11-6-10-16(19)17(2)3;1-4-6-14(16)12-7-5-8-13(9-12)18-10-15(17)11(2)3;2*1-3-6-13(16)11-18-14-9-5-8-12(10-14)15(17)7-4-2;1-2-7-15(17)13-8-6-9-14(12-13)18-11-5-3-4-10-16;1-4-5-7-13-8-6-9-14(10-13)17-11-15(16)12(2)3;1-2-5-13(16)11-6-3-7-12(10-11)18-9-4-8-14(15)17;1-2-6-14(16)12-7-5-8-13(11-12)17-10-4-3-9-15/h3-6,8-12,17-20H,2,7,13H2,1H3;5,8-9,12,15,18H,4,6-7,10-11H2,1-3H3;5,7-9,11,14-17H,4,6,10H2,1-3H3;2*5,8-10,13,15-17H,3-4,6-7,11H2,1-2H3;6,8-9,12,15-17H,2-5,7,10-11H2,1H3;6,8-10,12,15-16H,4-5,7,11H2,1-3H3;3,6-7,10,13,16H,2,4-5,8-9H2,1H3,(H2,15,17);5,7-8,11,14-16H,2-4,6,9-10H2,1H3.

What are the key properties of 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol?

1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol has a molecular weight of 2301.17 g/mol, XLogP of 26.76, 70 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-butylphenoxy)-3-methylbutan-2-ol;1-[3-(4-hydroxybutoxy)phenyl]butan-1-ol;4-[3-(1-hydroxybutyl)phenoxy]butanamide;4-[3-(1-hydroxybutyl)phenoxy]-N,N-dimethylbutanamide;1-[3-(1-hydroxybutyl)phenoxy]-3-methylbutan-2-ol;bis(1-[3-(1-hydroxybutyl)phenoxy]pentan-2-ol);5-[3-(1-hydroxybutyl)phenoxy]pentan-1-ol;1-[3-(2-hydroxy-2-phenylethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 158844864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).