6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid

C132H201Br2ClF5IO35S9 — CID 159644847

IUPAC6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid
SMILESCC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Br)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Cl)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(F)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(I)c1.CC(C)(CCCCS(=O)(=O)O)Cc1cccc(Br)c1.COC(c1cccc(C(F)(F)F)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(C)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(F)c1)C(C)(C)CCCCS(=O)(=O)O.Cc1cccc(C(O)C(C)(C)CCCCS(=O)(=O)O)c1
InChIInChI=1S/C16H23F3O4S.C16H26O4S.C15H23FO4S.C15H24O4S.C14H21BrO4S.C14H21BrO3S.C14H21ClO4S.C14H21FO4S.C14H21IO4S/c1-15(2,9-4-5-10-24(20,21)22)14(23-3)12-7-6-8-13(11-12)16(17,18)19;1-13-8-7-9-14(12-13)15(20-4)16(2,3)10-5-6-11-21(17,18)19;1-15(2,9-4-5-10-21(17,18)19)14(20-3)12-7-6-8-13(16)11-12;1-12-7-6-8-13(11-12)14(16)15(2,3)9-4-5-10-20(17,18)19;1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11;1-14(2,8-3-4-9-19(16,17)18)11-12-6-5-7-13(15)10-12;3*1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,21,22);7-9,12,15H,5-6,10-11H2,1-4H3,(H,17,18,19);6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18,19);6-8,11,14,16H,4-5,9-10H2,1-3H3,(H,17,18,19);5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19);5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,17,18);3*5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19)
InChIKeyMQVBEKUHOFHJQJ-UHFFFAOYSA-N
MW3053.78 g/mol
LogP32.41
Rot. Bonds66

About 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid

6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid (PubChem CID 159644847) has the molecular formula C132H201Br2ClF5IO35S9 and a molecular weight of 3053.78 g/mol. Its IUPAC name is 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid.

Molecular Properties

Compound Name6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid
PubChem CID159644847
Molecular FormulaC132H201Br2ClF5IO35S9
Molecular Weight3053.78 g/mol
Exact Mass3048.85
IUPAC Name6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid
SMILESCC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Br)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Cl)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(F)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(I)c1.CC(C)(CCCCS(=O)(=O)O)Cc1cccc(Br)c1.COC(c1cccc(C(F)(F)F)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(C)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(F)c1)C(C)(C)CCCCS(=O)(=O)O.Cc1cccc(C(O)C(C)(C)CCCCS(=O)(=O)O)c1
InChIInChI=1S/C16H23F3O4S.C16H26O4S.C15H23FO4S.C15H24O4S.C14H21BrO4S.C14H21BrO3S.C14H21ClO4S.C14H21FO4S.C14H21IO4S/c1-15(2,9-4-5-10-24(20,21)22)14(23-3)12-7-6-8-13(11-12)16(17,18)19;1-13-8-7-9-14(12-13)15(20-4)16(2,3)10-5-6-11-21(17,18)19;1-15(2,9-4-5-10-21(17,18)19)14(20-3)12-7-6-8-13(16)11-12;1-12-7-6-8-13(11-12)14(16)15(2,3)9-4-5-10-20(17,18)19;1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11;1-14(2,8-3-4-9-19(16,17)18)11-12-6-5-7-13(15)10-12;3*1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,21,22);7-9,12,15H,5-6,10-11H2,1-4H3,(H,17,18,19);6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18,19);6-8,11,14,16H,4-5,9-10H2,1-3H3,(H,17,18,19);5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19);5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,17,18);3*5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19)
InChIKeyMQVBEKUHOFHJQJ-UHFFFAOYSA-N
XLogP32.41
TPSA618.17 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds66
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003053.78
LogP ≤ 532.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid with MolForge

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Related Compounds

3-[[1-(3-bromophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(3-chlorophenyl)-1-hydroxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(4-chlorophenyl)-1-methoxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(3-chlorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(3-fluorophenyl)-1-hydroxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(3-fluorophenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(4-iodophenyl)-1-methoxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-methoxy-1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;3-[[1-methoxy-2-methyl-1-(4-methylphenyl)propan-2-yl]amino]propane-1-sulfonic acid;3-[[1-(3-methoxyphenyl)-2-methylpropan-2-yl]amino]propane-1-sulfonic acid;bis(3-[[2-methyl-1-(3-methylphenyl)propan-2-yl]amino]propane-1-sulfonic acid)
CID 158907454
3-[[1-(3-bromophenyl)-1-methoxy-2-methylpropan-2-yl]amino]propane-1-sulfonic acid
CID 59771518
2-(3-chlorophenyl)-1-(3-fluorophenyl)-2-methylpropan-1-ol
CID 156883833
2,2-dichloro-1-(3-fluorophenyl)-2-methylsulfonylethanol
CID 102550189
anisole;1,3-bis(trifluoromethyl)benzene;bromobenzene;1-bromo-3-chlorobenzene;tert-butylbenzene;chlorobenzene;1-chloro-3-fluorobenzene;1-chloro-3-methylbenzene;1-chloro-3-(trifluoromethyl)benzene;1,2-dichlorobenzene;1,3-dichlorobenzene;1,2-difluorobenzene;1,3-difluorobenzene;1,3-dimethoxybenzene;icosakis(2,2-dimethylpropane);fluorobenzene;[2-(hydroxymethyl)phenyl]methanol;methylsulfanylbenzene;toluene;trifluoromethylbenzene;1,2-xylene;1,3-xylene
CID 158112039
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-bromophenyl)acetic acid;2-(3-fluorophenyl)acetic acid;2-(3-methylphenyl)acetic acid
CID 159192805
5,5-dimethyl-6-[2-(trifluoromethyl)phenyl]hexane-1-sulfonic acid
CID 58052812
2-(4-chloro-2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 114852064
1-bromo-3-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79430597
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
ethyl 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoate
CID 60723433

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid?
The IUPAC name of 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid (CID 159644847) is 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid.
What is the SMILES notation for 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid?
The canonical SMILES for 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid is CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Br)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(Cl)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(F)c1.CC(C)(CCCCS(=O)(=O)O)C(O)c1cccc(I)c1.CC(C)(CCCCS(=O)(=O)O)Cc1cccc(Br)c1.COC(c1cccc(C(F)(F)F)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(C)c1)C(C)(C)CCCCS(=O)(=O)O.COC(c1cccc(F)c1)C(C)(C)CCCCS(=O)(=O)O.Cc1cccc(C(O)C(C)(C)CCCCS(=O)(=O)O)c1.
What is the InChIKey of 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid?
The InChIKey is MQVBEKUHOFHJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O4S.C16H26O4S.C15H23FO4S.C15H24O4S.C14H21BrO4S.C14H21BrO3S.C14H21ClO4S.C14H21FO4S.C14H21IO4S/c1-15(2,9-4-5-10-24(20,21)22)14(23-3)12-7-6-8-13(11-12)16(17,18)19;1-13-8-7-9-14(12-13)15(20-4)16(2,3)10-5-6-11-21(17,18)19;1-15(2,9-4-5-10-21(17,18)19)14(20-3)12-7-6-8-13(16)11-12;1-12-7-6-8-13(11-12)14(16)15(2,3)9-4-5-10-20(17,18)19;1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11;1-14(2,8-3-4-9-19(16,17)18)11-12-6-5-7-13(15)10-12;3*1-14(2,8-3-4-9-20(17,18)19)13(16)11-6-5-7-12(15)10-11/h6-8,11,14H,4-5,9-10H2,1-3H3,(H,20,21,22);7-9,12,15H,5-6,10-11H2,1-4H3,(H,17,18,19);6-8,11,14H,4-5,9-10H2,1-3H3,(H,17,18,19);6-8,11,14,16H,4-5,9-10H2,1-3H3,(H,17,18,19);5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19);5-7,10H,3-4,8-9,11H2,1-2H3,(H,16,17,18);3*5-7,10,13,16H,3-4,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid?
6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid has a molecular weight of 3053.78 g/mol, XLogP of 32.41, 66 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-(3-bromophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-chlorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-hydroxy-5,5-dimethylhexane-1-sulfonic acid;6-(3-fluorophenyl)-6-methoxy-5,5-dimethylhexane-1-sulfonic acid;6-hydroxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-hydroxy-6-(3-iodophenyl)-5,5-dimethylhexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-(3-methylphenyl)hexane-1-sulfonic acid;6-methoxy-5,5-dimethyl-6-[3-(trifluoromethyl)phenyl]hexane-1-sulfonic acid is sourced from PubChem (CID 159644847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).