1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol

C194H308N2O19 — CID 161117660

IUPAC1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(CCC(C)(O)CCC)c1.CCCC(O)c1cccc(CCC(O)C(C)C)c1.CCCC(O)c1cccc(CCC2CCCCO2)c1.CCCC(O)c1cccc(CCCC(C)C)c1.CCCC(O)c1cccc(CCCCC(=O)CC)c1.CCCC(O)c1cccc(CCCCC(=O)N(C)C)c1.CCCC(O)c1cccc(CCCCC(N)=O)c1.CCCC(O)c1cccc(CCCCCO)c1.CCCC(O)c1cccc(CCCCCOC)c1.CCCCc1cccc(CCCC(C)C)c1.CCCCc1cccc(CCCCC(=O)CC)c1.CCCCc1cccc(CCCCCO)c1
InChIInChI=1S/C17H27NO2.C17H26O2.C17H28O2.C17H26O2.C17H26O.2C16H26O2.C16H26O.C16H26.C15H23NO2.C15H24O2.C15H24O/c1-4-8-16(19)15-11-7-10-14(13-15)9-5-6-12-17(20)18(2)3;1-2-6-17(18)15-8-5-7-14(13-15)10-11-16-9-3-4-12-19-16;1-4-7-16(18)15-9-6-8-14(13-15)10-12-17(3,19)11-5-2;1-3-8-17(19)15-11-7-10-14(13-15)9-5-6-12-16(18)4-2;1-3-5-9-15-11-8-12-16(14-15)10-6-7-13-17(18)4-2;1-4-6-16(18)14-8-5-7-13(11-14)9-10-15(17)12(2)3;1-3-8-16(17)15-11-7-10-14(13-15)9-5-4-6-12-18-2;1-4-7-16(17)15-11-6-10-14(12-15)9-5-8-13(2)3;1-4-5-9-15-11-7-12-16(13-15)10-6-8-14(2)3;1-2-6-14(17)13-9-5-8-12(11-13)7-3-4-10-15(16)18;1-2-7-15(17)14-10-6-9-13(12-14)8-4-3-5-11-16;1-2-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16/h7,10-11,13,16,19H,4-6,8-9,12H2,1-3H3;5,7-8,13,16-18H,2-4,6,9-12H2,1H3;6,8-9,13,16,18-19H,4-5,7,10-12H2,1-3H3;7,10-11,13,17,19H,3-6,8-9,12H2,1-2H3;8,11-12,14H,3-7,9-10,13H2,1-2H3;5,7-8,11-12,15-18H,4,6,9-10H2,1-3H3;7,10-11,13,16-17H,3-6,8-9,12H2,1-2H3;6,10-13,16-17H,4-5,7-9H2,1-3H3;7,11-14H,4-6,8-10H2,1-3H3;5,8-9,11,14,17H,2-4,6-7,10H2,1H3,(H2,16,18);6,9-10,12,15-17H,2-5,7-8,11H2,1H3;7,10-11,13,16H,2-6,8-9,12H2,1H3
InChIKeyUKNKEFNVWLZSJL-UHFFFAOYSA-N
MW2972.59 g/mol
LogP46.81
Rot. Bonds94

About 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol

1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol (PubChem CID 161117660) has the molecular formula C194H308N2O19 and a molecular weight of 2972.59 g/mol. Its IUPAC name is 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol.

Molecular Properties

Compound Name1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol
PubChem CID161117660
Molecular FormulaC194H308N2O19
Molecular Weight2972.59 g/mol
Exact Mass2970.32
IUPAC Name1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(CCC(C)(O)CCC)c1.CCCC(O)c1cccc(CCC(O)C(C)C)c1.CCCC(O)c1cccc(CCC2CCCCO2)c1.CCCC(O)c1cccc(CCCC(C)C)c1.CCCC(O)c1cccc(CCCCC(=O)CC)c1.CCCC(O)c1cccc(CCCCC(=O)N(C)C)c1.CCCC(O)c1cccc(CCCCC(N)=O)c1.CCCC(O)c1cccc(CCCCCO)c1.CCCC(O)c1cccc(CCCCCOC)c1.CCCCc1cccc(CCCC(C)C)c1.CCCCc1cccc(CCCCC(=O)CC)c1.CCCCc1cccc(CCCCCO)c1
InChIInChI=1S/C17H27NO2.C17H26O2.C17H28O2.C17H26O2.C17H26O.2C16H26O2.C16H26O.C16H26.C15H23NO2.C15H24O2.C15H24O/c1-4-8-16(19)15-11-7-10-14(13-15)9-5-6-12-17(20)18(2)3;1-2-6-17(18)15-8-5-7-14(13-15)10-11-16-9-3-4-12-19-16;1-4-7-16(18)15-9-6-8-14(13-15)10-12-17(3,19)11-5-2;1-3-8-17(19)15-11-7-10-14(13-15)9-5-6-12-16(18)4-2;1-3-5-9-15-11-8-12-16(14-15)10-6-7-13-17(18)4-2;1-4-6-16(18)14-8-5-7-13(11-14)9-10-15(17)12(2)3;1-3-8-16(17)15-11-7-10-14(13-15)9-5-4-6-12-18-2;1-4-7-16(17)15-11-6-10-14(12-15)9-5-8-13(2)3;1-4-5-9-15-11-7-12-16(13-15)10-6-8-14(2)3;1-2-6-14(17)13-9-5-8-12(11-13)7-3-4-10-15(16)18;1-2-7-15(17)14-10-6-9-13(12-14)8-4-3-5-11-16;1-2-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16/h7,10-11,13,16,19H,4-6,8-9,12H2,1-3H3;5,7-8,13,16-18H,2-4,6,9-12H2,1H3;6,8-9,13,16,18-19H,4-5,7,10-12H2,1-3H3;7,10-11,13,17,19H,3-6,8-9,12H2,1-2H3;8,11-12,14H,3-7,9-10,13H2,1-2H3;5,7-8,11-12,15-18H,4,6,9-10H2,1-3H3;7,10-11,13,16-17H,3-6,8-9,12H2,1-2H3;6,10-13,16-17H,4-5,7-9H2,1-3H3;7,11-14H,4-6,8-10H2,1-3H3;5,8-9,11,14,17H,2-4,6-7,10H2,1H3,(H2,16,18);6,9-10,12,15-17H,2-5,7-8,11H2,1H3;7,10-11,13,16H,2-6,8-9,12H2,1H3
InChIKeyUKNKEFNVWLZSJL-UHFFFAOYSA-N
XLogP46.81
TPSA378.99 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds94
Heavy Atoms215
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002972.59
LogP ≤ 546.81
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol with MolForge

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Related Compounds

1-butyl-3-(6-methoxyhexyl)benzene;2-(3-butylphenyl)decan-2-ol;5-(3-butylphenyl)-N,N-dimethylpentanamide;3-(3-butylphenyl)-2,2-dimethylpropan-1-ol;[3-(3-butylphenyl)-2,2-dimethylpropyl] acetate;2-(3-butylphenyl)hexan-2-ol;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 157850958
1-butyl-3-(4-methoxybutyl)benzene;5-(3-butylphenyl)-N,N-dimethylpentanamide;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol;methane
CID 158733769
1-butyl-3-(4-methoxybutyl)benzene;5-(3-butylphenyl)-N,N-dimethylpentanamide;2-(3-butylphenyl)heptan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol;methane
CID 159081028
1-butyl-3-(4-methoxybutyl)benzene;5-(3-butylphenyl)-N,N-dimethylpentanamide;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 160679409
1-butyl-3-(4-methoxybutyl)benzene;2-(3-butylphenyl)decan-2-ol;5-(3-butylphenyl)-N,N-dimethylpentanamide;2-(3-butylphenyl)hexan-2-ol;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 161798368
1-butyl-3-(4-methoxybutyl)benzene;2-(3-butylphenyl)decan-2-ol;5-(3-butylphenyl)-N,N-dimethylpentanamide;3-(3-butylphenyl)-2,2-dimethylpropan-1-ol;[3-(3-butylphenyl)-2,2-dimethylpropyl] acetate;2-(3-butylphenyl)hexan-2-ol;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 161901567
1-butyl-3-(4-methoxybutyl)benzene;2-(3-butylphenyl)decan-2-ol;5-(3-butylphenyl)-N,N-dimethylpentanamide;3-(3-butylphenyl)-2,2-dimethylpropan-1-ol;2-(3-butylphenyl)hexan-2-ol;1-(3-butylphenyl)-2-methylhexan-2-ol;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;(7R)-2,2-difluoro-7-hydroxy-7-[3-(3-hydroxy-3-propylhexyl)phenyl]heptan-3-one;4-[2-[2-fluoro-5-(1-hydroxybutyl)phenyl]ethyl]heptan-4-ol;4-[2-[3-(2-hydroxybutyl)phenyl]ethyl]heptan-4-ol;(6R)-6-hydroxy-6-[3-(3-hydroxy-3-propylhexyl)phenyl]hexan-2-one;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 162151810
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentanamide;(1R)-3-[3-(3-aminopropyl)phenyl]-1-(4-methylphenyl)propan-1-ol
CID 143800134
1-Butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol
CID 157447789
2-(3-Butylphenyl)decan-2-ol;3-(3-butylphenyl)-2,2-dimethylpropan-1-ol;[3-(3-butylphenyl)-2,2-dimethylpropyl] acetate;7-(3-butylphenyl)heptan-3-one;2-(3-butylphenyl)hexan-2-ol;5-(3-butylphenyl)pentanamide;3-(3-butylphenyl)-1-phenylpropan-1-ol;3-ethyl-1-[3-(1-hydroxybutyl)phenyl]pentan-3-ol
CID 157527936
1-butyl-3-(4-methylpentyl)benzene;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;1-[3-(1-hydroxybutyl)phenyl]hexan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(3-hydroxypropyl)phenyl]butan-1-ol;1-[3-(4-methoxybutyl)phenyl]butan-1-ol;1-[3-(3-methoxypropyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol
CID 157668020
1-butyl-3-(4-methoxybutyl)benzene;2-(3-butylphenyl)decan-2-ol;5-(3-butylphenyl)-N,N-dimethylpentanamide;3-(3-butylphenyl)-2,2-dimethylpropan-1-ol;[3-(3-butylphenyl)-2,2-dimethylpropyl] acetate;2-(3-butylphenyl)hexan-2-ol;1-(3-butylphenyl)-2-methylhexan-2-ol;5-(3-butylphenyl)pentanamide;(1R)-3-(3-butylphenyl)-1-phenylpropan-1-ol;3-(3-butylphenyl)-1-phenylpropan-1-ol;3-ethyl-1-[3-(1-hydroxybutyl)phenyl]pentan-3-ol;1-[3-(3-hydroxy-3-phenylpropyl)phenyl]butan-1-ol
CID 157751953

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol?
The IUPAC name of 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol (CID 161117660) is 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol.
What is the SMILES notation for 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol?
The canonical SMILES for 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol is CCCC(O)c1cccc(CCC(C)(O)CCC)c1.CCCC(O)c1cccc(CCC(O)C(C)C)c1.CCCC(O)c1cccc(CCC2CCCCO2)c1.CCCC(O)c1cccc(CCCC(C)C)c1.CCCC(O)c1cccc(CCCCC(=O)CC)c1.CCCC(O)c1cccc(CCCCC(=O)N(C)C)c1.CCCC(O)c1cccc(CCCCC(N)=O)c1.CCCC(O)c1cccc(CCCCCO)c1.CCCC(O)c1cccc(CCCCCOC)c1.CCCCc1cccc(CCCC(C)C)c1.CCCCc1cccc(CCCCC(=O)CC)c1.CCCCc1cccc(CCCCCO)c1.
What is the InChIKey of 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol?
The InChIKey is UKNKEFNVWLZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C17H26O2.C17H28O2.C17H26O2.C17H26O.2C16H26O2.C16H26O.C16H26.C15H23NO2.C15H24O2.C15H24O/c1-4-8-16(19)15-11-7-10-14(13-15)9-5-6-12-17(20)18(2)3;1-2-6-17(18)15-8-5-7-14(13-15)10-11-16-9-3-4-12-19-16;1-4-7-16(18)15-9-6-8-14(13-15)10-12-17(3,19)11-5-2;1-3-8-17(19)15-11-7-10-14(13-15)9-5-6-12-16(18)4-2;1-3-5-9-15-11-8-12-16(14-15)10-6-7-13-17(18)4-2;1-4-6-16(18)14-8-5-7-13(11-14)9-10-15(17)12(2)3;1-3-8-16(17)15-11-7-10-14(13-15)9-5-4-6-12-18-2;1-4-7-16(17)15-11-6-10-14(12-15)9-5-8-13(2)3;1-4-5-9-15-11-7-12-16(13-15)10-6-8-14(2)3;1-2-6-14(17)13-9-5-8-12(11-13)7-3-4-10-15(16)18;1-2-7-15(17)14-10-6-9-13(12-14)8-4-3-5-11-16;1-2-3-8-14-10-7-11-15(13-14)9-5-4-6-12-16/h7,10-11,13,16,19H,4-6,8-9,12H2,1-3H3;5,7-8,13,16-18H,2-4,6,9-12H2,1H3;6,8-9,13,16,18-19H,4-5,7,10-12H2,1-3H3;7,10-11,13,17,19H,3-6,8-9,12H2,1-2H3;8,11-12,14H,3-7,9-10,13H2,1-2H3;5,7-8,11-12,15-18H,4,6,9-10H2,1-3H3;7,10-11,13,16-17H,3-6,8-9,12H2,1-2H3;6,10-13,16-17H,4-5,7-9H2,1-3H3;7,11-14H,4-6,8-10H2,1-3H3;5,8-9,11,14,17H,2-4,6-7,10H2,1H3,(H2,16,18);6,9-10,12,15-17H,2-5,7-8,11H2,1H3;7,10-11,13,16H,2-6,8-9,12H2,1H3.
What are the key properties of 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol?
1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol has a molecular weight of 2972.59 g/mol, XLogP of 46.81, 94 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methylpentyl)benzene;7-(3-butylphenyl)heptan-3-one;5-(3-butylphenyl)pentan-1-ol;5-[3-(1-hydroxybutyl)phenyl]-N,N-dimethylpentanamide;7-[3-(1-hydroxybutyl)phenyl]heptan-3-one;1-[3-(1-hydroxybutyl)phenyl]-3-methylhexan-3-ol;1-[3-(1-hydroxybutyl)phenyl]-4-methylpentan-3-ol;5-[3-(1-hydroxybutyl)phenyl]pentanamide;5-[3-(1-hydroxybutyl)phenyl]pentan-1-ol;1-[3-(5-methoxypentyl)phenyl]butan-1-ol;1-[3-(4-methylpentyl)phenyl]butan-1-ol;1-[3-[2-(oxan-2-yl)ethyl]phenyl]butan-1-ol is sourced from PubChem (CID 161117660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).