4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol

C205H292N2O29 — CID 162069290

IUPAC4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(OCCCC(=O)CC)c1.CCCC(O)c1cccc(OCCCC(N)=O)c1.CCCC(O)c1cccc(OCCCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCOCc2ccccc2)c1.CCCCc1cccc(OCC(O)C(C)C)c1.CCCCc1cccc(OCC(O)c2ccccc2)c1.CCCCc1cccc(OCCCC(=O)CC)c1.CCCCc1cccc(OCCCC(=O)N(C)C)c1.CCCCc1cccc(OCCCCCO)c1.CCCCc1cccc(OCCCCCOCc2ccccc2)c1.CCCCc1cccc(OCCO)c1
InChIInChI=1S/C22H30O3.C22H30O2.C20H26O3.C19H24O3.C18H22O2.C16H25NO2.C16H24O3.C16H24O2.2C15H24O2.C14H21NO3.C12H18O2/c1-2-10-22(23)20-13-9-14-21(17-20)25-16-8-4-7-15-24-18-19-11-5-3-6-12-19;1-2-3-11-20-14-10-15-22(18-20)24-17-9-5-8-16-23-19-21-12-6-4-7-13-21;1-2-8-20(21)18-11-6-12-19(15-18)23-14-7-13-22-16-17-9-4-3-5-10-17;1-2-7-19(20)17-10-6-11-18(14-17)22-13-12-21-15-16-8-4-3-5-9-16;1-2-3-8-15-9-7-12-17(13-15)20-14-18(19)16-10-5-4-6-11-16;1-4-5-8-14-9-6-10-15(13-14)19-12-7-11-16(18)17(2)3;1-3-7-16(18)13-8-5-10-15(12-13)19-11-6-9-14(17)4-2;1-3-5-8-14-9-6-11-16(13-14)18-12-7-10-15(17)4-2;1-4-5-7-13-8-6-9-14(10-13)17-11-15(16)12(2)3;1-2-3-8-14-9-7-10-15(13-14)17-12-6-4-5-11-16;1-2-5-13(16)11-6-3-7-12(10-11)18-9-4-8-14(15)17;1-2-3-5-11-6-4-7-12(10-11)14-9-8-13/h3,5-6,9,11-14,17,22-23H,2,4,7-8,10,15-16,18H2,1H3;4,6-7,10,12-15,18H,2-3,5,8-9,11,16-17,19H2,1H3;3-6,9-12,15,20-21H,2,7-8,13-14,16H2,1H3;3-6,8-11,14,19-20H,2,7,12-13,15H2,1H3;4-7,9-13,18-19H,2-3,8,14H2,1H3;6,9-10,13H,4-5,7-8,11-12H2,1-3H3;5,8,10,12,16,18H,3-4,6-7,9,11H2,1-2H3;6,9,11,13H,3-5,7-8,10,12H2,1-2H3;6,8-10,12,15-16H,4-5,7,11H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3,6-7,10,13,16H,2,4-5,8-9H2,1H3,(H2,15,17);4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyZAWARYCJXXNAOW-UHFFFAOYSA-N
MW3248.58 g/mol
LogP46.51
Rot. Bonds106

About 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol

4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol (PubChem CID 162069290) has the molecular formula C205H292N2O29 and a molecular weight of 3248.58 g/mol. Its IUPAC name is 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol
PubChem CID162069290
Molecular FormulaC205H292N2O29
Molecular Weight3248.58 g/mol
Exact Mass3246.14
IUPAC Name4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol
SMILESCCCC(O)c1cccc(OCCCC(=O)CC)c1.CCCC(O)c1cccc(OCCCC(N)=O)c1.CCCC(O)c1cccc(OCCCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCOCc2ccccc2)c1.CCCCc1cccc(OCC(O)C(C)C)c1.CCCCc1cccc(OCC(O)c2ccccc2)c1.CCCCc1cccc(OCCCC(=O)CC)c1.CCCCc1cccc(OCCCC(=O)N(C)C)c1.CCCCc1cccc(OCCCCCO)c1.CCCCc1cccc(OCCCCCOCc2ccccc2)c1.CCCCc1cccc(OCCO)c1
InChIInChI=1S/C22H30O3.C22H30O2.C20H26O3.C19H24O3.C18H22O2.C16H25NO2.C16H24O3.C16H24O2.2C15H24O2.C14H21NO3.C12H18O2/c1-2-10-22(23)20-13-9-14-21(17-20)25-16-8-4-7-15-24-18-19-11-5-3-6-12-19;1-2-3-11-20-14-10-15-22(18-20)24-17-9-5-8-16-23-19-21-12-6-4-7-13-21;1-2-8-20(21)18-11-6-12-19(15-18)23-14-7-13-22-16-17-9-4-3-5-10-17;1-2-7-19(20)17-10-6-11-18(14-17)22-13-12-21-15-16-8-4-3-5-9-16;1-2-3-8-15-9-7-12-17(13-15)20-14-18(19)16-10-5-4-6-11-16;1-4-5-8-14-9-6-10-15(13-14)19-12-7-11-16(18)17(2)3;1-3-7-16(18)13-8-5-10-15(12-13)19-11-6-9-14(17)4-2;1-3-5-8-14-9-6-11-16(13-14)18-12-7-10-15(17)4-2;1-4-5-7-13-8-6-9-14(10-13)17-11-15(16)12(2)3;1-2-3-8-14-9-7-10-15(13-14)17-12-6-4-5-11-16;1-2-5-13(16)11-6-3-7-12(10-11)18-9-4-8-14(15)17;1-2-3-5-11-6-4-7-12(10-11)14-9-8-13/h3,5-6,9,11-14,17,22-23H,2,4,7-8,10,15-16,18H2,1H3;4,6-7,10,12-15,18H,2-3,5,8-9,11,16-17,19H2,1H3;3-6,9-12,15,20-21H,2,7-8,13-14,16H2,1H3;3-6,8-11,14,19-20H,2,7,12-13,15H2,1H3;4-7,9-13,18-19H,2-3,8,14H2,1H3;6,9-10,13H,4-5,7-8,11-12H2,1-3H3;5,8,10,12,16,18H,3-4,6-7,9,11H2,1-2H3;6,9,11,13H,3-5,7-8,10,12H2,1-2H3;6,8-10,12,15-16H,4-5,7,11H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3,6-7,10,13,16H,2,4-5,8-9H2,1H3,(H2,15,17);4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyZAWARYCJXXNAOW-UHFFFAOYSA-N
XLogP46.51
TPSA427.29 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds106
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003248.58
LogP ≤ 546.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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
1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol
CID 159118308
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
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
1-butyl-3-(4-methoxybutoxy)benzene;1-butyl-3-(2-methoxyethoxy)benzene;1-butyl-3-(3-methylbutoxy)benzene;1-butyl-3-pentoxybenzene;4-(3-butylphenoxy)butanamide;4-(3-butylphenoxy)butan-1-ol;3-[(3-butylphenoxy)methyl]pentan-3-ol;1-butyl-3-(4-phenylmethoxybutoxy)benzene;1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;4-[[3-(1-hydroxybutyl)phenoxy]methyl]heptan-4-ol;3-[[3-(1-hydroxybutyl)phenoxy]methyl]pentan-3-ol;1-[3-(2-hydroxy-2-propylpentoxy)phenyl]butan-1-one
CID 159889749
1-[(2R)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(2-ethylbutoxy)benzene;1-[(2R)-butan-2-yl]oxy-3-(2-propylpentoxy)benzene;1-[(2S)-butan-2-yl]oxy-3-(2-propylpentoxy)benzene;1-(4-methoxybutoxy)-3-propoxybenzene;1-(2-methoxyethoxy)-3-propoxybenzene;1-(3-methoxypropoxy)-3-propoxybenzene;1-pentoxy-3-propoxybenzene;1-(4-phenylmethoxybutoxy)-3-propoxybenzene;1-(2-phenylmethoxyethoxy)-3-propoxybenzene;1-(3-phenylmethoxypropoxy)-3-propoxybenzene;1-(3-phenylpropoxy)-3-propoxybenzene;6-(3-propoxyphenoxy)hexan-3-one;3-(3-propoxyphenoxy)propan-1-ol
CID 161050934
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
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
4-(3-pentadecylphenoxy)butanamide
CID 22354511
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
1-[3-(2-phenylmethoxyethoxy)phenyl]propan-1-ol
CID 175772542
1-(3-butylphenyl)butan-1-ol
CID 158563510

Frequently Asked Questions

What is the IUPAC name of 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol?
The IUPAC name of 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol (CID 162069290) is 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol.
What is the SMILES notation for 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol?
The canonical SMILES for 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol is CCCC(O)c1cccc(OCCCC(=O)CC)c1.CCCC(O)c1cccc(OCCCC(N)=O)c1.CCCC(O)c1cccc(OCCCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCCOCc2ccccc2)c1.CCCC(O)c1cccc(OCCOCc2ccccc2)c1.CCCCc1cccc(OCC(O)C(C)C)c1.CCCCc1cccc(OCC(O)c2ccccc2)c1.CCCCc1cccc(OCCCC(=O)CC)c1.CCCCc1cccc(OCCCC(=O)N(C)C)c1.CCCCc1cccc(OCCCCCO)c1.CCCCc1cccc(OCCCCCOCc2ccccc2)c1.CCCCc1cccc(OCCO)c1.
What is the InChIKey of 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol?
The InChIKey is ZAWARYCJXXNAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3.C22H30O2.C20H26O3.C19H24O3.C18H22O2.C16H25NO2.C16H24O3.C16H24O2.2C15H24O2.C14H21NO3.C12H18O2/c1-2-10-22(23)20-13-9-14-21(17-20)25-16-8-4-7-15-24-18-19-11-5-3-6-12-19;1-2-3-11-20-14-10-15-22(18-20)24-17-9-5-8-16-23-19-21-12-6-4-7-13-21;1-2-8-20(21)18-11-6-12-19(15-18)23-14-7-13-22-16-17-9-4-3-5-10-17;1-2-7-19(20)17-10-6-11-18(14-17)22-13-12-21-15-16-8-4-3-5-9-16;1-2-3-8-15-9-7-12-17(13-15)20-14-18(19)16-10-5-4-6-11-16;1-4-5-8-14-9-6-10-15(13-14)19-12-7-11-16(18)17(2)3;1-3-7-16(18)13-8-5-10-15(12-13)19-11-6-9-14(17)4-2;1-3-5-8-14-9-6-11-16(13-14)18-12-7-10-15(17)4-2;1-4-5-7-13-8-6-9-14(10-13)17-11-15(16)12(2)3;1-2-3-8-14-9-7-10-15(13-14)17-12-6-4-5-11-16;1-2-5-13(16)11-6-3-7-12(10-11)18-9-4-8-14(15)17;1-2-3-5-11-6-4-7-12(10-11)14-9-8-13/h3,5-6,9,11-14,17,22-23H,2,4,7-8,10,15-16,18H2,1H3;4,6-7,10,12-15,18H,2-3,5,8-9,11,16-17,19H2,1H3;3-6,9-12,15,20-21H,2,7-8,13-14,16H2,1H3;3-6,8-11,14,19-20H,2,7,12-13,15H2,1H3;4-7,9-13,18-19H,2-3,8,14H2,1H3;6,9-10,13H,4-5,7-8,11-12H2,1-3H3;5,8,10,12,16,18H,3-4,6-7,9,11H2,1-2H3;6,9,11,13H,3-5,7-8,10,12H2,1-2H3;6,8-10,12,15-16H,4-5,7,11H2,1-3H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3,6-7,10,13,16H,2,4-5,8-9H2,1H3,(H2,15,17);4,6-7,10,13H,2-3,5,8-9H2,1H3.
What are the key properties of 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol?
4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol has a molecular weight of 3248.58 g/mol, XLogP of 46.51, 106 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-butylphenoxy)-N,N-dimethylbutanamide;2-(3-butylphenoxy)ethanol;6-(3-butylphenoxy)hexan-3-one;1-(3-butylphenoxy)-3-methylbutan-2-ol;5-(3-butylphenoxy)pentan-1-ol;2-(3-butylphenoxy)-1-phenylethanol;1-butyl-3-(5-phenylmethoxypentoxy)benzene;4-[3-(1-hydroxybutyl)phenoxy]butanamide;6-[3-(1-hydroxybutyl)phenoxy]hexan-3-one;1-[3-(2-phenylmethoxyethoxy)phenyl]butan-1-ol;1-[3-(5-phenylmethoxypentoxy)phenyl]butan-1-ol;1-[3-(3-phenylmethoxypropoxy)phenyl]butan-1-ol is sourced from PubChem (CID 162069290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).