1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane

C169H273F3O35S8 — CID 159047241

IUPAC1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane
SMILESCC(C)(C)COCCCS(=O)(=O)CCc1ccc(F)c(OCC2CC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OC2CCC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OCC2CC2)c1.CC[C@@](O)(CCS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCOC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OCC(C)(C)O)c1
InChIInChI=1S/C24H39FO5S.C22H36O4S.C21H33FO4S.C21H34O5S.C21H36O5S.C20H31FO4S.2C20H32O4S/c1-5-24(26,13-16-31(27,28)15-8-14-29-18-23(2,3)4)19-11-12-21(25)22(17-19)30-20-9-6-7-10-20;1-18(16-27(23,24)14-8-13-25-17-22(2,3)4)19-9-7-12-21(15-19)26-20-10-5-6-11-20;1-16(14-27(23,24)11-5-10-25-15-21(2,3)4)18-8-9-19(22)20(12-18)26-13-17-6-7-17;1-17(15-27(22,23)12-6-10-25-16-21(2,3)4)18-7-5-8-19(13-18)26-20-9-11-24-14-20;1-17(14-27(23,24)12-8-11-25-15-20(2,3)4)18-9-7-10-19(13-18)26-16-21(5,6)22;1-20(2,3)15-24-10-4-11-26(22,23)12-9-16-7-8-18(21)19(13-16)25-14-17-5-6-17;1-20(2,3)16-23-12-6-13-25(21,22)14-11-17-7-4-10-19(15-17)24-18-8-5-9-18;1-20(2,3)16-23-11-5-12-25(21,22)13-10-17-6-4-7-19(14-17)24-15-18-8-9-18/h11-12,17,20,26H,5-10,13-16,18H2,1-4H3;7,9,12,15,18,20H,5-6,8,10-11,13-14,16-17H2,1-4H3;8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3;5,7-8,13,17,20H,6,9-12,14-16H2,1-4H3;7,9-10,13,17,22H,8,11-12,14-16H2,1-6H3;7-8,13,17H,4-6,9-12,14-15H2,1-3H3;4,7,10,15,18H,5-6,8-9,11-14,16H2,1-3H3;4,6-7,14,18H,5,8-13,15-16H2,1-3H3/t24-;18-;16-;17-,20?;17-;;;/m10000.../s1
InChIKeyJWURJZYSMHENHQ-GKUJJSTRSA-N
MW3178.54 g/mol
LogP34.14
Rot. Bonds86

About 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane

1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane (PubChem CID 159047241) has the molecular formula C169H273F3O35S8 and a molecular weight of 3178.54 g/mol. Its IUPAC name is 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane.

Molecular Properties

Compound Name1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane
PubChem CID159047241
Molecular FormulaC169H273F3O35S8
Molecular Weight3178.54 g/mol
Exact Mass3175.73
IUPAC Name1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane
SMILESCC(C)(C)COCCCS(=O)(=O)CCc1ccc(F)c(OCC2CC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OC2CCC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OCC2CC2)c1.CC[C@@](O)(CCS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCOC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OCC(C)(C)O)c1
InChIInChI=1S/C24H39FO5S.C22H36O4S.C21H33FO4S.C21H34O5S.C21H36O5S.C20H31FO4S.2C20H32O4S/c1-5-24(26,13-16-31(27,28)15-8-14-29-18-23(2,3)4)19-11-12-21(25)22(17-19)30-20-9-6-7-10-20;1-18(16-27(23,24)14-8-13-25-17-22(2,3)4)19-9-7-12-21(15-19)26-20-10-5-6-11-20;1-16(14-27(23,24)11-5-10-25-15-21(2,3)4)18-8-9-19(22)20(12-18)26-13-17-6-7-17;1-17(15-27(22,23)12-6-10-25-16-21(2,3)4)18-7-5-8-19(13-18)26-20-9-11-24-14-20;1-17(14-27(23,24)12-8-11-25-15-20(2,3)4)18-9-7-10-19(13-18)26-16-21(5,6)22;1-20(2,3)15-24-10-4-11-26(22,23)12-9-16-7-8-18(21)19(13-16)25-14-17-5-6-17;1-20(2,3)16-23-12-6-13-25(21,22)14-11-17-7-4-10-19(15-17)24-18-8-5-9-18;1-20(2,3)16-23-11-5-12-25(21,22)13-10-17-6-4-7-19(14-17)24-15-18-8-9-18/h11-12,17,20,26H,5-10,13-16,18H2,1-4H3;7,9,12,15,18,20H,5-6,8,10-11,13-14,16-17H2,1-4H3;8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3;5,7-8,13,17,20H,6,9-12,14-16H2,1-4H3;7,9-10,13,17,22H,8,11-12,14-16H2,1-6H3;7-8,13,17H,4-6,9-12,14-15H2,1-3H3;4,7,10,15,18H,5-6,8-9,11-14,16H2,1-3H3;4,6-7,14,18H,5,8-13,15-16H2,1-3H3/t24-;18-;16-;17-,20?;17-;;;/m10000.../s1
InChIKeyJWURJZYSMHENHQ-GKUJJSTRSA-N
XLogP34.14
TPSA470.49 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds86
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003178.54
LogP ≤ 534.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane?
The IUPAC name of 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane (CID 159047241) is 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane.
What is the SMILES notation for 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane?
The canonical SMILES for 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane is CC(C)(C)COCCCS(=O)(=O)CCc1ccc(F)c(OCC2CC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OC2CCC2)c1.CC(C)(C)COCCCS(=O)(=O)CCc1cccc(OCC2CC2)c1.CC[C@@](O)(CCS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1ccc(F)c(OCC2CC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCCC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OC2CCOC2)c1.C[C@@H](CS(=O)(=O)CCCOCC(C)(C)C)c1cccc(OCC(C)(C)O)c1.
What is the InChIKey of 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane?
The InChIKey is JWURJZYSMHENHQ-GKUJJSTRSA-N. The full InChI is InChI=1S/C24H39FO5S.C22H36O4S.C21H33FO4S.C21H34O5S.C21H36O5S.C20H31FO4S.2C20H32O4S/c1-5-24(26,13-16-31(27,28)15-8-14-29-18-23(2,3)4)19-11-12-21(25)22(17-19)30-20-9-6-7-10-20;1-18(16-27(23,24)14-8-13-25-17-22(2,3)4)19-9-7-12-21(15-19)26-20-10-5-6-11-20;1-16(14-27(23,24)11-5-10-25-15-21(2,3)4)18-8-9-19(22)20(12-18)26-13-17-6-7-17;1-17(15-27(22,23)12-6-10-25-16-21(2,3)4)18-7-5-8-19(13-18)26-20-9-11-24-14-20;1-17(14-27(23,24)12-8-11-25-15-20(2,3)4)18-9-7-10-19(13-18)26-16-21(5,6)22;1-20(2,3)15-24-10-4-11-26(22,23)12-9-16-7-8-18(21)19(13-16)25-14-17-5-6-17;1-20(2,3)16-23-12-6-13-25(21,22)14-11-17-7-4-10-19(15-17)24-18-8-5-9-18;1-20(2,3)16-23-11-5-12-25(21,22)13-10-17-6-4-7-19(14-17)24-15-18-8-9-18/h11-12,17,20,26H,5-10,13-16,18H2,1-4H3;7,9,12,15,18,20H,5-6,8,10-11,13-14,16-17H2,1-4H3;8-9,12,16-17H,5-7,10-11,13-15H2,1-4H3;5,7-8,13,17,20H,6,9-12,14-16H2,1-4H3;7,9-10,13,17,22H,8,11-12,14-16H2,1-6H3;7-8,13,17H,4-6,9-12,14-15H2,1-3H3;4,7,10,15,18H,5-6,8-9,11-14,16H2,1-3H3;4,6-7,14,18H,5,8-13,15-16H2,1-3H3/t24-;18-;16-;17-,20?;17-;;;/m10000.../s1.
What are the key properties of 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane?
1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane has a molecular weight of 3178.54 g/mol, XLogP of 34.14, 86 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;1-cyclopentyloxy-3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]benzene;(3R)-3-(3-cyclopentyloxy-4-fluorophenyl)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]pentan-3-ol;1-(cyclopropylmethoxy)-3-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]benzene;2-(cyclopropylmethoxy)-4-[2-[3-(2,2-dimethylpropoxy)propylsulfonyl]ethyl]-1-fluorobenzene;2-(cyclopropylmethoxy)-4-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]-1-fluorobenzene;1-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]-2-methylpropan-2-ol;3-[3-[(2R)-1-[3-(2,2-dimethylpropoxy)propylsulfonyl]propan-2-yl]phenoxy]oxolane is sourced from PubChem (CID 159047241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).