2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

C184H266N2O16S2 — CID 159110397

IUPAC2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCC#Cc1cccc(CCC2(O)CCCCC2)c1.CCCCc1cccc(CCC2CCCCC2O)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C18H28O2.C18H30O2.C18H28O.C18H24O.C17H26O2.C17H26O.2C16H19NO.C16H24O2S.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-3-7-15-8-6-9-16(14-15)12-13-17-10-4-5-11-18(17)19;1-2-3-8-16-9-7-10-17(15-16)11-14-18(19)12-5-4-6-13-18;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6,8-9,14,17-19H,2-5,7,10-13H2,1H3;7,9-10,15,19H,2,4-6,11-14H2,1H3;6-8,14,18H,2-5,9-13H2,1H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3
InChIKeyKEKLYCUXGKGTNK-UHFFFAOYSA-N
MW2826.28 g/mol
LogP45.78
Rot. Bonds71

About 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol

2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (PubChem CID 159110397) has the molecular formula C184H266N2O16S2 and a molecular weight of 2826.28 g/mol. Its IUPAC name is 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
PubChem CID159110397
Molecular FormulaC184H266N2O16S2
Molecular Weight2826.28 g/mol
Exact Mass2823.95
IUPAC Name2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
SMILESCCC#Cc1cccc(CCC2(O)CCCCC2)c1.CCCCc1cccc(CCC2CCCCC2O)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1
InChIInChI=1S/C18H28O2.C18H30O2.C18H28O.C18H24O.C17H26O2.C17H26O.2C16H19NO.C16H24O2S.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-3-7-15-8-6-9-16(14-15)12-13-17-10-4-5-11-18(17)19;1-2-3-8-16-9-7-10-17(15-16)11-14-18(19)12-5-4-6-13-18;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6,8-9,14,17-19H,2-5,7,10-13H2,1H3;7,9-10,15,19H,2,4-6,11-14H2,1H3;6-8,14,18H,2-5,9-13H2,1H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3
InChIKeyKEKLYCUXGKGTNK-UHFFFAOYSA-N
XLogP45.78
TPSA250.46 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds71
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002826.28
LogP ≤ 545.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol with MolForge

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Related Compounds

Methane;bis(2-[(3-propoxyphenoxy)methyl]oxane);2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 157104634
1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;6-(3-propoxyphenyl)hexan-1-ol
CID 157193771
1,1'-Biphenyl;9-[2-[5-[2-(9-hydroxyxanthen-9-yl)ethynyl]thiophen-2-yl]ethynyl]xanthen-9-ol;9-[7-(9-hydroxyxanthen-9-yl)hepta-1,6-diynyl]xanthen-9-ol;tris(9-prop-1-ynylxanthen-9-ol);9-(2-pyridin-2-ylethynyl)xanthen-9-ol
CID 157496429
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;bis(1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol);4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 157622783
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;bis(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158107432
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylthiophene;octakis(2,2-dimethylbutane);3,3-dimethylbutan-2-one;3,3-dimethylbut-1-ene;3,3-dimethylbut-1-yne;2,2-dimethylhexane;2,2-dimethylpentane;4,4-dimethylpent-1-ene;4,4-dimethylpent-1-yne;2,2-dimethylpropanal;octakis(2,2-dimethylpropane);2,2-dimethylpropan-1-imine;2-ethenoxy-2-methylpropane;1-ethoxy-2,2-dimethylpropane;2-ethoxy-2-methylpropane;1-methoxy-2,2-dimethylpropane;2-methoxy-2-methylpropane;2-methylpropan-2-amine;2-methylpropan-2-ol;(2-methylpropan-2-yl)oxybenzene;(2-methylpropan-2-yl)oxymethylbenzene;2-methyl-2-prop-2-enoxypropane;2-methyl-2-prop-2-ynoxypropane;2,2,3,3-tetramethylbutane;2,2,3-trimethylbutane;2,2,3-trimethylpentane;2,2,4-trimethylpentane;N,2,2-trimethylpropan-1-imine
CID 158263743
2-[3-Ethyl-2-hydroxy-5-[1-(4-methoxyphenyl)propyl]phenyl]-4-[1-(4-methoxyphenyl)ethyl]-6-methylphenol;2-[3-ethyl-2-hydroxy-5-(1-pyridin-4-ylpropyl)phenyl]-6-methyl-4-(1-pyridin-4-ylethyl)phenol;2-[3-ethyl-2-hydroxy-5-(1-thiophen-3-ylpropyl)phenyl]-6-methyl-4-(1-thiophen-3-ylethyl)phenol
CID 158263790
2-(3,5-difluoro-4-methylphenyl)-3-methylbutan-1-ol;2-(3,5-difluorophenyl)-3-methylbutan-1-ol;3-fluoro-5-(3-methylbutan-2-yl)pyridine;3-fluoro-2-methyl-5-(3-methylbutan-2-yl)pyridine;6-fluoro-4-propan-2-yl-3,4-dihydro-2H-chromene;methane;bis(1-methyl-4-(3-methylbutan-2-yl)benzene);2-methyl-5-(3-methylbutan-2-yl)thiophene;3-methyl-2-(3-methylphenyl)butan-1-ol;tris(3-methyl-2-(4-methylphenyl)butan-1-ol);trimethyl-[4-(3-methylbutan-2-yl)phenyl]silane
CID 158307927
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 158632096
1-[2-[3-[(E)-but-1-enyl]phenyl]ethyl]cyclohexan-1-ol;2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;6-(3-propoxyphenyl)hexan-1-ol
CID 158657258
1-(3-Cyclopentylpropyl)-3-propoxybenzene;3-ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-(4-methylpentyl)-3-propoxybenzene;4-methyl-3-propan-2-yl-1-(3-propoxyphenyl)pentan-3-ol;2-methyl-4-(3-propoxyphenyl)butan-2-ol;1-(2-phenylethyl)-3-propoxybenzene;1-(3-phenylpropyl)-3-propoxybenzene;4-(3-propoxyphenyl)butan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclopentan-1-ol;5-[2-(3-propoxyphenyl)ethyl]nonan-5-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;2-[2-(3-propoxyphenyl)ethyl]thiophene
CID 158684067
3-Ethyl-1-(3-propoxyphenyl)pentan-3-ol;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol
CID 158975540

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The IUPAC name of 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol (CID 159110397) is 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol.
What is the SMILES notation for 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The canonical SMILES for 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is CCC#Cc1cccc(CCC2(O)CCCCC2)c1.CCCCc1cccc(CCC2CCCCC2O)c1.CCCOc1cccc(CCC(O)(CCC)CCC)c1.CCCOc1cccc(CCC2(O)CCCCC2)c1.CCCOc1cccc(CCC2(O)CCCCCC2)c1.CCCOc1cccc(CCC2(O)CCSCC2)c1.CCCOc1cccc(CCCC2CCCC2)c1.CCCOc1cccc(CCCCCCO)c1.CCCOc1cccc(CCc2ccccn2)c1.CCCOc1cccc(CCc2cccnc2)c1.CCCOc1cccc(CCc2cccs2)c1.
What is the InChIKey of 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
The InChIKey is KEKLYCUXGKGTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2.C18H30O2.C18H28O.C18H24O.C17H26O2.C17H26O.2C16H19NO.C16H24O2S.C15H24O2.C15H18OS/c1-2-14-20-17-9-7-8-16(15-17)10-13-18(19)11-5-3-4-6-12-18;1-4-11-18(19,12-5-2)13-10-16-8-7-9-17(15-16)20-14-6-3;1-2-3-7-15-8-6-9-16(14-15)12-13-17-10-4-5-11-18(17)19;1-2-3-8-16-9-7-10-17(15-16)11-14-18(19)12-5-4-6-13-18;1-2-13-19-16-8-6-7-15(14-16)9-12-17(18)10-4-3-5-11-17;1-2-13-18-17-12-6-11-16(14-17)10-5-9-15-7-3-4-8-15;1-2-11-18-16-7-3-5-14(12-16)8-9-15-6-4-10-17-13-15;1-2-12-18-16-8-5-6-14(13-16)9-10-15-7-3-4-11-17-15;1-2-10-18-15-5-3-4-14(13-15)6-7-16(17)8-11-19-12-9-16;1-2-12-17-15-10-7-9-14(13-15)8-5-3-4-6-11-16;1-2-10-16-14-6-3-5-13(12-14)8-9-15-7-4-11-17-15/h7-9,15,19H,2-6,10-14H2,1H3;7-9,15,19H,4-6,10-14H2,1-3H3;6,8-9,14,17-19H,2-5,7,10-13H2,1H3;7,9-10,15,19H,2,4-6,11-14H2,1H3;6-8,14,18H,2-5,9-13H2,1H3;6,11-12,14-15H,2-5,7-10,13H2,1H3;3-7,10,12-13H,2,8-9,11H2,1H3;3-8,11,13H,2,9-10,12H2,1H3;3-5,13,17H,2,6-12H2,1H3;7,9-10,13,16H,2-6,8,11-12H2,1H3;3-7,11-12H,2,8-10H2,1H3.
What are the key properties of 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol?
2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol has a molecular weight of 2826.28 g/mol, XLogP of 45.78, 71 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butylphenyl)ethyl]cyclohexan-1-ol;1-[2-(3-but-1-ynylphenyl)ethyl]cyclohexan-1-ol;1-(3-cyclopentylpropyl)-3-propoxybenzene;1-[2-(3-propoxyphenyl)ethyl]cycloheptan-1-ol;1-[2-(3-propoxyphenyl)ethyl]cyclohexan-1-ol;4-[2-(3-propoxyphenyl)ethyl]heptan-4-ol;2-[2-(3-propoxyphenyl)ethyl]pyridine;3-[2-(3-propoxyphenyl)ethyl]pyridine;4-[2-(3-propoxyphenyl)ethyl]thian-4-ol;2-[2-(3-propoxyphenyl)ethyl]thiophene;6-(3-propoxyphenyl)hexan-1-ol is sourced from PubChem (CID 159110397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).