2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene

C95H101F3O10S2 — CID 157233954

IUPAC2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene
SMILESCOc1cc(C)ccc1-c1ccc(C)cc1CO.Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc1C.Cc1cc2c(cc1C)-c1cc(C)c(C)cc1C2.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H18.C16H15F3.C16H18O6S2.C16H18O2.C16H18.C14H14O2/c1-10-5-14-9-15-6-11(2)13(4)8-17(15)16(14)7-12(10)3;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13(15(7-11(9)3)23(17,18)19)14-6-10(2)12(4)8-16(14)24(20,21)22;1-11-4-6-14(13(8-11)10-17)15-7-5-12(2)9-16(15)18-3;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h5-8H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3,(H,17,18,19)(H,20,21,22);4-9,17H,10H2,1-3H3;5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyAUKPFDWROOPZPY-UHFFFAOYSA-N
MW1523.97 g/mol
LogP24.31
Rot. Bonds9

About 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene

2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene (PubChem CID 157233954) has the molecular formula C95H101F3O10S2 and a molecular weight of 1523.97 g/mol. Its IUPAC name is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene.

Molecular Properties

Compound Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene
PubChem CID157233954
Molecular FormulaC95H101F3O10S2
Molecular Weight1523.97 g/mol
Exact Mass1522.68
IUPAC Name2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene
SMILESCOc1cc(C)ccc1-c1ccc(C)cc1CO.Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc1C.Cc1cc2c(cc1C)-c1cc(C)c(C)cc1C2.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C17H18.C16H15F3.C16H18O6S2.C16H18O2.C16H18.C14H14O2/c1-10-5-14-9-15-6-11(2)13(4)8-17(15)16(14)7-12(10)3;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13(15(7-11(9)3)23(17,18)19)14-6-10(2)12(4)8-16(14)24(20,21)22;1-11-4-6-14(13(8-11)10-17)15-7-5-12(2)9-16(15)18-3;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h5-8H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3,(H,17,18,19)(H,20,21,22);4-9,17H,10H2,1-3H3;5-10H,1-4H3;3-8,15-16H,1-2H3
InChIKeyAUKPFDWROOPZPY-UHFFFAOYSA-N
XLogP24.31
TPSA178.66 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001523.97
LogP ≤ 524.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene with MolForge

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Related Compounds

4-[5-[4-(3,4-Dimethylphenyl)phenyl]-3-(3,4-disulfophenyl)-2-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]-3-(trifluoromethyl)phenyl]phenyl]-4,6-diphenylphenyl]benzene-1,2-disulfonic acid
CID 117842242
2-(trifluoromethyl)benzenesulfonic acid;1,2,3-tris(4-methoxyphenyl)-9H-fluorene
CID 159657807
9,9-Bis(4-methylphenyl)fluorene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;[5-methyl-2-[4-methyl-2-(trifluoromethoxy)phenyl]phenyl]methanol;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;2-phenylpropan-2-ylbenzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene
CID 160989762
2-(9H-fluoren-1-yloxy)-4,5-bis(hydroxymethyl)-3-(3,3,3-trifluoropropyl)benzenesulfonic acid
CID 152205133
5,5-Bis(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaene-16,19-disulfonic acid
CID 117722650
5-[4-(Hydroxymethyl)phenyl]-5-(4-methoxyphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene-19-sulfonic acid
CID 117726654
2,2-Dimethylpropyl 2-[4-[(2-decoxy-4-methylphenyl)methyl]-2-(2,2-dimethylpropoxysulfonyl)phenyl]-5-methylbenzenesulfonate;2,2-dimethylpropyl 2-[4-[(9,9-didodecyl-7-methylfluoren-2-yl)methyl]-2-(2,2-dimethylpropoxysulfonyl)phenyl]-5-methylbenzenesulfonate
CID 123849683
2,2-Dimethylpropyl 5-[(2-decoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonate;2,2-dimethylpropyl 5-[(9,9-didodecyl-7-methylfluoren-2-yl)methyl]-2-methylbenzenesulfonate
CID 123857324
1-(4-hydroxyphenyl)-3-(4-propoxyphenyl)-9H-fluorene-2-sulfonic acid
CID 151282495
1,4-Dimethoxy-2,5-dimethylbenzene;2,4-dimethylbenzenesulfonic acid;2,5-dimethylbenzenesulfonic acid;1-methoxy-2,4-dimethylbenzene;2-methoxy-1,4-dimethylbenzene;1-methoxy-2,4,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 157746409
4-[(4-Hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylbenzenesulfonic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]methanesulfonic acid;[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenyl]methanesulfonic acid
CID 159083002
1-[(13S,17S)-17-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]naphthalene-2-sulfonic acid
CID 169775721

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene?
The IUPAC name of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene (CID 157233954) is 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene.
What is the SMILES notation for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene?
The canonical SMILES for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene is COc1cc(C)ccc1-c1ccc(C)cc1CO.Cc1cc(-c2cc(C)c(C)cc2S(=O)(=O)O)c(S(=O)(=O)O)cc1C.Cc1cc2c(cc1C)-c1cc(C)c(C)cc1C2.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.Cc1ccc(-c2ccc(C)cc2C(F)(F)F)c(C)c1.Cc1ccc(-c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene?
The InChIKey is AUKPFDWROOPZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C16H15F3.C16H18O6S2.C16H18O2.C16H18.C14H14O2/c1-10-5-14-9-15-6-11(2)13(4)8-17(15)16(14)7-12(10)3;1-10-4-6-13(12(3)8-10)14-7-5-11(2)9-15(14)16(17,18)19;1-9-5-13(15(7-11(9)3)23(17,18)19)14-6-10(2)12(4)8-16(14)24(20,21)22;1-11-4-6-14(13(8-11)10-17)15-7-5-12(2)9-16(15)18-3;1-11-5-7-15(13(3)9-11)16-8-6-12(2)10-14(16)4;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h5-8H,9H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3,(H,17,18,19)(H,20,21,22);4-9,17H,10H2,1-3H3;5-10H,1-4H3;3-8,15-16H,1-2H3.
What are the key properties of 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene?
2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene has a molecular weight of 1523.97 g/mol, XLogP of 24.31, 9 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[4-methyl-2-(trifluoromethyl)phenyl]benzene;1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;2-(4,5-dimethyl-2-sulfophenyl)-4,5-dimethylbenzenesulfonic acid;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;[2-(2-methoxy-4-methylphenyl)-5-methylphenyl]methanol;2,3,6,7-tetramethyl-9H-fluorene is sourced from PubChem (CID 157233954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).