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

C168H258F3NO16 — CID 160679409

IUPAC1-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
SMILESCCCC(O)(CCC)CCc1cccc(CC(O)CC)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(=O)C(C)(F)F)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(C)=O)c1.CCCC(O)c1ccc(F)c(CCC(O)(CCC)CCC)c1.CCCC(O)c1cccc(CCC(O)c2ccccc2)c1.CCCCc1cccc(CC(C)(O)CCCC)c1.CCCCc1cccc(CCCCC(=O)N(C)C)c1.CCCCc1cccc(CCCCOC)c1.CCCCc1cccc(CC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C22H34F2O3.C21H34O3.C19H31FO2.C19H24O2.C19H32O2.C19H24O.C17H27NO.C17H28O.C15H24O/c1-4-13-22(27,14-5-2)15-12-17-8-6-9-18(16-17)19(25)10-7-11-20(26)21(3,23)24;1-4-13-21(24,14-5-2)15-12-18-9-7-10-19(16-18)20(23)11-6-8-17(3)22;1-4-7-18(21)16-8-9-17(20)15(14-16)10-13-19(22,11-5-2)12-6-3;1-2-7-18(20)17-11-6-8-15(14-17)12-13-19(21)16-9-4-3-5-10-16;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-2-3-8-16-9-7-10-17(15-16)13-14-19(20)18-11-5-4-6-12-18;1-4-5-9-15-11-8-12-16(14-15)10-6-7-13-17(19)18(2)3;1-4-6-9-15-10-8-11-16(13-15)14-17(3,18)12-7-5-2;1-3-4-8-14-10-7-11-15(13-14)9-5-6-12-16-2/h6,8-9,16,19,25,27H,4-5,7,10-15H2,1-3H3;7,9-10,16,20,23-24H,4-6,8,11-15H2,1-3H3;8-9,14,18,21-22H,4-7,10-13H2,1-3H3;3-6,8-11,14,18-21H,2,7,12-13H2,1H3;7-9,14,18,20-21H,4-6,10-13,15H2,1-3H3;4-7,9-12,15,19-20H,2-3,8,13-14H2,1H3;8,11-12,14H,4-7,9-10,13H2,1-3H3;8,10-11,13,18H,4-7,9,12,14H2,1-3H3;7,10-11,13H,3-6,8-9,12H2,1-2H3/t19-;20-;;;;19-;;;/m11...1.../s1
InChIKeyRNYBTSBHTXTDAF-QWUIYEKBSA-N
MW2604.90 g/mol
LogP40.53
Rot. Bonds83

About 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

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 (PubChem CID 160679409) has the molecular formula C168H258F3NO16 and a molecular weight of 2604.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID160679409
Molecular FormulaC168H258F3NO16
Molecular Weight2604.90 g/mol
Exact Mass2602.94
IUPAC Name1-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
SMILESCCCC(O)(CCC)CCc1cccc(CC(O)CC)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(=O)C(C)(F)F)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(C)=O)c1.CCCC(O)c1ccc(F)c(CCC(O)(CCC)CCC)c1.CCCC(O)c1cccc(CCC(O)c2ccccc2)c1.CCCCc1cccc(CC(C)(O)CCCC)c1.CCCCc1cccc(CCCCC(=O)N(C)C)c1.CCCCc1cccc(CCCCOC)c1.CCCCc1cccc(CC[C@@H](O)c2ccccc2)c1
InChIInChI=1S/C22H34F2O3.C21H34O3.C19H31FO2.C19H24O2.C19H32O2.C19H24O.C17H27NO.C17H28O.C15H24O/c1-4-13-22(27,14-5-2)15-12-17-8-6-9-18(16-17)19(25)10-7-11-20(26)21(3,23)24;1-4-13-21(24,14-5-2)15-12-18-9-7-10-19(16-18)20(23)11-6-8-17(3)22;1-4-7-18(21)16-8-9-17(20)15(14-16)10-13-19(22,11-5-2)12-6-3;1-2-7-18(20)17-11-6-8-15(14-17)12-13-19(21)16-9-4-3-5-10-16;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-2-3-8-16-9-7-10-17(15-16)13-14-19(20)18-11-5-4-6-12-18;1-4-5-9-15-11-8-12-16(14-15)10-6-7-13-17(19)18(2)3;1-4-6-9-15-10-8-11-16(13-15)14-17(3,18)12-7-5-2;1-3-4-8-14-10-7-11-15(13-14)9-5-6-12-16-2/h6,8-9,16,19,25,27H,4-5,7,10-15H2,1-3H3;7,9-10,16,20,23-24H,4-6,8,11-15H2,1-3H3;8-9,14,18,21-22H,4-7,10-13H2,1-3H3;3-6,8-11,14,18-21H,2,7,12-13H2,1H3;7-9,14,18,20-21H,4-6,10-13,15H2,1-3H3;4-7,9-12,15,19-20H,2-3,8,13-14H2,1H3;8,11-12,14H,4-7,9-10,13H2,1-3H3;8,10-11,13,18H,4-7,9,12,14H2,1-3H3;7,10-11,13H,3-6,8-9,12H2,1-2H3/t19-;20-;;;;19-;;;/m11...1.../s1
InChIKeyRNYBTSBHTXTDAF-QWUIYEKBSA-N
XLogP40.53
TPSA306.44 Ų
H-Bond Donors12
H-Bond Acceptors16
Rotatable Bonds83
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002604.90
LogP ≤ 540.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(O)(CCC)CCc1cccc(CC(O)CC)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(=O)C(C)(F)F)c1.CCCC(O)(CCC)CCc1cccc([C@H](O)CCCC(C)=O)c1.CCCC(O)c1ccc(F)c(CCC(O)(CCC)CCC)c1.CCCC(O)c1cccc(CCC(O)c2ccccc2)c1.CCCCc1cccc(CC(C)(O)CCCC)c1.CCCCc1cccc(CCCCC(=O)N(C)C)c1.CCCCc1cccc(CCCCOC)c1.CCCCc1cccc(CC[C@@H](O)c2ccccc2)c1.
What is the InChIKey of 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?
The InChIKey is RNYBTSBHTXTDAF-QWUIYEKBSA-N. The full InChI is InChI=1S/C22H34F2O3.C21H34O3.C19H31FO2.C19H24O2.C19H32O2.C19H24O.C17H27NO.C17H28O.C15H24O/c1-4-13-22(27,14-5-2)15-12-17-8-6-9-18(16-17)19(25)10-7-11-20(26)21(3,23)24;1-4-13-21(24,14-5-2)15-12-18-9-7-10-19(16-18)20(23)11-6-8-17(3)22;1-4-7-18(21)16-8-9-17(20)15(14-16)10-13-19(22,11-5-2)12-6-3;1-2-7-18(20)17-11-6-8-15(14-17)12-13-19(21)16-9-4-3-5-10-16;1-4-11-19(21,12-5-2)13-10-16-8-7-9-17(14-16)15-18(20)6-3;1-2-3-8-16-9-7-10-17(15-16)13-14-19(20)18-11-5-4-6-12-18;1-4-5-9-15-11-8-12-16(14-15)10-6-7-13-17(19)18(2)3;1-4-6-9-15-10-8-11-16(13-15)14-17(3,18)12-7-5-2;1-3-4-8-14-10-7-11-15(13-14)9-5-6-12-16-2/h6,8-9,16,19,25,27H,4-5,7,10-15H2,1-3H3;7,9-10,16,20,23-24H,4-6,8,11-15H2,1-3H3;8-9,14,18,21-22H,4-7,10-13H2,1-3H3;3-6,8-11,14,18-21H,2,7,12-13H2,1H3;7-9,14,18,20-21H,4-6,10-13,15H2,1-3H3;4-7,9-12,15,19-20H,2-3,8,13-14H2,1H3;8,11-12,14H,4-7,9-10,13H2,1-3H3;8,10-11,13,18H,4-7,9,12,14H2,1-3H3;7,10-11,13H,3-6,8-9,12H2,1-2H3/t19-;20-;;;;19-;;;/m11...1.../s1.
What are the key properties of 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?
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 has a molecular weight of 2604.90 g/mol, XLogP of 40.53, 83 rotatable bonds, 12 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160679409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).