4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol

C72H64F6O10S — CID 158006071

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(-c2ccc(C)c(O)c2)cc1O
InChIInChI=1S/C27H22O2.C17H14F6O2.C14H14O4S.C14H14O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-16,28-29H,1-2H3;3-8,24-25H,1-2H3;3-8,15-16H,1-2H3;3-8,15-16H,1-2H3
InChIKeyFEHRWSJKJRJMJT-UHFFFAOYSA-N
MW1235.35 g/mol
LogP17.13
Rot. Bonds7

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol (PubChem CID 158006071) has the molecular formula C72H64F6O10S and a molecular weight of 1235.35 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
PubChem CID158006071
Molecular FormulaC72H64F6O10S
Molecular Weight1235.35 g/mol
Exact Mass1234.41
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol
SMILESCc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(-c2ccc(C)c(O)c2)cc1O
InChIInChI=1S/C27H22O2.C17H14F6O2.C14H14O4S.C14H14O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-16,28-29H,1-2H3;3-8,24-25H,1-2H3;3-8,15-16H,1-2H3;3-8,15-16H,1-2H3
InChIKeyFEHRWSJKJRJMJT-UHFFFAOYSA-N
XLogP17.13
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001235.35
LogP ≤ 517.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Analyze 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol with MolForge

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Related Compounds

9,9-bis(3,4-dimethylphenyl)fluorene;9,9-bis(4-methylphenyl)fluorene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 161144042
1,3-bis(3-methylphenoxy)benzene;1,3-bis(4-methylphenoxy)benzene;9,9-bis(4-methylphenyl)fluorene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-(4-methylphenoxy)phenoxy]benzene;1-methyl-4-[3-[3-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;1-(4-methylphenoxy)-3-[3-(4-methylphenoxy)phenyl]sulfonylbenzene
CID 159261526
4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2,3-dimethylphenol
CID 71231529
4-(3,4-dimethylphenyl)sulfonyl-2-methylphenol
CID 20719205
9,9-bis(4-methylphenyl)fluorene;methane;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 162192450
4-[2-[4-[2-[4-(3,4-dimethylphenyl)sulfonyl-2-methylphenyl]ethyl]-3-methylphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene
CID 146371641
[5-[9-(3-hydroxy-4-methylphenyl)fluoren-9-yl]-2-methylphenyl] formate
CID 88860019
2-[4-(dimethylamino)phenyl]-5-[2-[2-[4-[9-[4-(dimethylamino)phenyl]fluoren-9-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]isoindole-1,3-dione
CID 18737334
bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;4-[4-(3,4-dimethylphenoxy)phenoxy]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159397283
4-[9-[4-hydroxy-3-(trifluoromethyl)phenyl]fluoren-9-yl]-2-(trifluoromethyl)phenol
CID 87557614
4-[9-(4-hydroxy-3-prop-2-enylphenyl)fluoren-9-yl]-2-methylphenol
CID 69497823
9-(4-amino-3-methylphenyl)-9-(4-hydroxy-3-methylphenyl)fluoren-2-ol
CID 144931267

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol (CID 158006071) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol is Cc1cc(C(c2ccc(O)c(C)c2)(C(F)(F)F)C(F)(F)F)ccc1O.Cc1cc(C2(c3ccc(O)c(C)c3)c3ccccc3-c3ccccc32)ccc1O.Cc1cc(S(=O)(=O)c2ccc(O)c(C)c2)ccc1O.Cc1ccc(-c2ccc(C)c(O)c2)cc1O.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol?
The InChIKey is FEHRWSJKJRJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2.C17H14F6O2.C14H14O4S.C14H14O2/c1-17-15-19(11-13-25(17)28)27(20-12-14-26(29)18(2)16-20)23-9-5-3-7-21(23)22-8-4-6-10-24(22)27;1-9-7-11(3-5-13(9)24)15(16(18,19)20,17(21,22)23)12-4-6-14(25)10(2)8-12;1-9-7-11(3-5-13(9)15)19(17,18)12-4-6-14(16)10(2)8-12;1-9-3-5-11(7-13(9)15)12-6-4-10(2)14(16)8-12/h3-16,28-29H,1-2H3;3-8,24-25H,1-2H3;3-8,15-16H,1-2H3;3-8,15-16H,1-2H3.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol?
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol has a molecular weight of 1235.35 g/mol, XLogP of 17.13, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-methylphenol;4-[9-(4-hydroxy-3-methylphenyl)fluoren-9-yl]-2-methylphenol;5-(3-hydroxy-4-methylphenyl)-2-methylphenol;4-(4-hydroxy-3-methylphenyl)sulfonyl-2-methylphenol is sourced from PubChem (CID 158006071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).