bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol

C53H48O11S2 — CID 161253261

IUPACbis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O2.C13H10O3.C12H10O4S.C12H10O2S/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5-8,17-18H,1-4H3;1-8,14-15H;1-8,13-14H;1-8,13-14H
InChIKeyVBOCMPXMADLFBS-UHFFFAOYSA-N
MW925.09 g/mol
LogP11.51
Rot. Bonds7

About bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol

bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol (PubChem CID 161253261) has the molecular formula C53H48O11S2 and a molecular weight of 925.09 g/mol. Its IUPAC name is bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol.

Molecular Properties

Compound Namebis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol
PubChem CID161253261
Molecular FormulaC53H48O11S2
Molecular Weight925.09 g/mol
Exact Mass924.26
IUPAC Namebis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol
SMILESCc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Sc2ccc(O)cc2)cc1
InChIInChI=1S/C16H18O2.C13H10O3.C12H10O4S.C12H10O2S/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5-8,17-18H,1-4H3;1-8,14-15H;1-8,13-14H;1-8,13-14H
InChIKeyVBOCMPXMADLFBS-UHFFFAOYSA-N
XLogP11.51
TPSA213.05 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500925.09
LogP ≤ 511.51
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Related Compounds

1-(4-Hydroxy-3,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl]-1-ethanone
CID 1483872
1-(4-Hydroxy-3,5-dimethylphenyl)-2-(phenylsulfonyl)-1-ethanone
CID 1486511
(4-Hydroxyphenyl)-[4-(4-hydroxyphenyl)sulfonylphenyl]methanone
CID 171342583
[4-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]phenyl] 4-hydroxybenzenesulfonate
CID 24986983
[4-[4-[[4-[4-(4-Fluorobenzoyl)phenoxy]phenyl]-diphenylmethyl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone
CID 59648946
CID 139732946
CID 139732946
[[4-[4-(4-Hydroxyphenyl)benzoyl]phenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142331762
Benzene;benzenesulfonylbenzene;1,1'-biphenyl;diphenylmethanone;ethane;4-(4-hydroxyphenyl)sulfonylphenol;(1-phenylcyclohexyl)benzene;(1-phenylcyclopentyl)benzene;2-phenylpropan-2-ylbenzene;4-[1,1,1-trifluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;(1,1,1-trifluoro-2-phenylpropan-2-yl)benzene
CID 158257649
[4-[2-Fluoro-4-(4-hydroxybenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;trifluoromethanesulfonate
CID 158534042
Benzene-1,4-diol;bis(4-hydroxyphenyl)methanone;4,4-bis(4-hydroxyphenyl)pentanoic acid;4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[(4-hydroxyphenyl)methyl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 159445137
2-(2,4-Dihydroxy-5-phenacylphenyl)-1-phenylethanone;ethane;2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-phenacylphenyl)propan-2-yl]-2-hydroxyphenyl]-1-phenylethanone;2-[2-hydroxy-5-[2-(4-hydroxy-3-phenacylphenyl)propan-2-yl]phenyl]-1-phenylethanone;2-[2-hydroxy-5-(4-hydroxy-3-phenacylphenyl)sulfonylphenyl]-1-phenylethanone;2-(4-hydroxy-3-phenacylphenyl)-1-phenylethanone
CID 160029004
Bis(4-hydroxyphenyl)methanone;4-(2,4-dihydroxyphenyl)sulfanylbenzene-1,3-diol;4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;4-[2-(4-hydroxyphenyl)-3-methylpentan-2-yl]phenol;2-(4-hydroxyphenyl)sulfonylphenol
CID 160156856

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol?
The IUPAC name of bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol (CID 161253261) is bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol.
What is the SMILES notation for bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol?
The canonical SMILES for bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol is Cc1cc(-c2cc(C)c(O)c(C)c2)cc(C)c1O.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(Sc2ccc(O)cc2)cc1.
What is the InChIKey of bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol?
The InChIKey is VBOCMPXMADLFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2.C13H10O3.C12H10O4S.C12H10O2S/c1-9-5-13(6-10(2)15(9)17)14-7-11(3)16(18)12(4)8-14;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h5-8,17-18H,1-4H3;1-8,14-15H;1-8,13-14H;1-8,13-14H.
What are the key properties of bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol?
bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol has a molecular weight of 925.09 g/mol, XLogP of 11.51, 7 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxyphenyl)methanone;4-(4-hydroxy-3,5-dimethylphenyl)-2,6-dimethylphenol;4-(4-hydroxyphenyl)sulfanylphenol;4-(4-hydroxyphenyl)sulfonylphenol is sourced from PubChem (CID 161253261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).