[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol

C132H105Cl9O12S3 — CID 173451294

IUPAC[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol
SMILESCC(C)(C)C(OC(O)(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(O)(c1ccccc1)c1ccc(Oc2c(Cl)cccc2Cl)cc1.Cc1cccc(C(O)c2ccc(-c3ccccc3)cc2)c1.O=S(=O)(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1.OC(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1.OC(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C55H41Cl7O6.C20H18O.C19H14Cl2OS.C19H16O3S.C19H16OS/c1-52(2,3)55(38-24-30-42(31-25-38)66-50-45(59)18-11-19-46(50)60,53(63,34-12-6-4-7-13-34)35-20-26-40(27-21-35)65-49-43(57)16-10-17-44(49)58)68-54(64,36-14-8-5-9-15-36)37-22-28-41(29-23-37)67-51-47(61)32-39(56)33-48(51)62;1-15-6-5-9-19(14-15)20(21)18-12-10-17(11-13-18)16-7-3-2-4-8-16;20-15-5-1-13(2-6-15)19(22)14-3-9-17(10-4-14)23-18-11-7-16(21)8-12-18;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h4-33,63-64H,1-3H3;2-14,20-21H,1H3;1-12,19,22H;1-14,19-20H;1-14,19-20H
InChIKeyPGIAMPFBGQPQNX-UHFFFAOYSA-N
MW2298.56 g/mol
LogP37.22
Rot. Bonds29

About [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol

[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol (PubChem CID 173451294) has the molecular formula C132H105Cl9O12S3 and a molecular weight of 2298.56 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol.

Molecular Properties

Compound Name[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol
PubChem CID173451294
Molecular FormulaC132H105Cl9O12S3
Molecular Weight2298.56 g/mol
Exact Mass2292.40
IUPAC Name[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol
SMILESCC(C)(C)C(OC(O)(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(O)(c1ccccc1)c1ccc(Oc2c(Cl)cccc2Cl)cc1.Cc1cccc(C(O)c2ccc(-c3ccccc3)cc2)c1.O=S(=O)(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1.OC(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1.OC(c1ccccc1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C55H41Cl7O6.C20H18O.C19H14Cl2OS.C19H16O3S.C19H16OS/c1-52(2,3)55(38-24-30-42(31-25-38)66-50-45(59)18-11-19-46(50)60,53(63,34-12-6-4-7-13-34)35-20-26-40(27-21-35)65-49-43(57)16-10-17-44(49)58)68-54(64,36-14-8-5-9-15-36)37-22-28-41(29-23-37)67-51-47(61)32-39(56)33-48(51)62;1-15-6-5-9-19(14-15)20(21)18-12-10-17(11-13-18)16-7-3-2-4-8-16;20-15-5-1-13(2-6-15)19(22)14-3-9-17(10-4-14)23-18-11-7-16(21)8-12-18;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h4-33,63-64H,1-3H3;2-14,20-21H,1H3;1-12,19,22H;1-14,19-20H;1-14,19-20H
InChIKeyPGIAMPFBGQPQNX-UHFFFAOYSA-N
XLogP37.22
TPSA192.44 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds29
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002298.56
LogP ≤ 537.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol with MolForge

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Related Compounds

phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methanol
CID 22767105
1-[4-(4-tert-butylphenyl)sulfonylphenyl]sulfanyl-4-phenylbenzene
CID 134591470
1-bromo-4-[4-[bromo-[3-(trifluoromethyl)phenyl]methyl]phenyl]benzene;1-bromo-4-[4-[chloro(phenyl)methyl]phenyl]benzene;1-[bromo-[4-(4-chlorophenyl)phenyl]methyl]-3-(trifluoromethyl)benzene;1-[bromo-(4-methylsulfonylphenyl)methyl]-4-phenylbenzene;1-[4-[bromo(phenyl)methyl]phenyl]-2,4-dichlorobenzene;1-[bromo-(4-phenylphenyl)methyl]-4-(trifluoromethyl)benzene;2-[4-[bromo-[3-(trifluoromethyl)phenyl]methyl]phenoxy]-1,3-dichlorobenzene;1-[chloro-(4-phenylphenyl)methyl]-3-(trifluoromethyl)benzene;1,3-dichloro-2-[4-[chloro-(4-chlorophenyl)methyl]phenoxy]benzene;1,3,5-trichloro-2-[4-[chloro(phenyl)methyl]phenyl]benzene
CID 173451393
1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene
CID 58607331
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292
(4-chlorophenyl)-(3-methylsulfonylphenyl)methanol
CID 61101064
benzenesulfonate;(4-chlorophenyl)-phenyl-(4-phenylsulfanylphenyl)sulfanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);ethane;4-methoxybenzenesulfonate;(4-methylphenyl)-phenyl-(4-phenylsulfanylphenyl)sulfanium;2,4,6-trimethylbenzenesulfonate
CID 158072512
[2-[4-(benzenesulfonyl)phenoxy]-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-fluoromethanesulfonic acid
CID 58825165
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
2-[4-(benzenesulfonyl)phenyl]sulfanyl-4-tert-butyl-1-methylbenzene
CID 175289331
2-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)sulfonyl-3-phenylbenzene
CID 54558002
2,6-dimethylnaphthalene;ethane;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-phenylbenzene;propane;1,3-xylene;bis(1,4-xylene)
CID 158023236

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol?
The IUPAC name of [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol (CID 173451294) is [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol.
What is the SMILES notation for [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol?
The canonical SMILES for [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol is CC(C)(C)C(OC(O)(c1ccccc1)c1ccc(Oc2c(Cl)cc(Cl)cc2Cl)cc1)(c1ccc(Oc2c(Cl)cccc2Cl)cc1)C(O)(c1ccccc1)c1ccc(Oc2c(Cl)cccc2Cl)cc1.Cc1cccc(C(O)c2ccc(-c3ccccc3)cc2)c1.O=S(=O)(c1ccccc1)c1ccc(C(O)c2ccccc2)cc1.OC(c1ccc(Cl)cc1)c1ccc(Sc2ccc(Cl)cc2)cc1.OC(c1ccccc1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol?
The InChIKey is PGIAMPFBGQPQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41Cl7O6.C20H18O.C19H14Cl2OS.C19H16O3S.C19H16OS/c1-52(2,3)55(38-24-30-42(31-25-38)66-50-45(59)18-11-19-46(50)60,53(63,34-12-6-4-7-13-34)35-20-26-40(27-21-35)65-49-43(57)16-10-17-44(49)58)68-54(64,36-14-8-5-9-15-36)37-22-28-41(29-23-37)67-51-47(61)32-39(56)33-48(51)62;1-15-6-5-9-19(14-15)20(21)18-12-10-17(11-13-18)16-7-3-2-4-8-16;20-15-5-1-13(2-6-15)19(22)14-3-9-17(10-4-14)23-18-11-7-16(21)8-12-18;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)23(21,22)17-9-5-2-6-10-17;20-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-17-9-5-2-6-10-17/h4-33,63-64H,1-3H3;2-14,20-21H,1H3;1-12,19,22H;1-14,19-20H;1-14,19-20H.
What are the key properties of [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol?
[4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol has a molecular weight of 2298.56 g/mol, XLogP of 37.22, 29 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)phenyl]-phenylmethanol;1,2-bis[4-(2,6-dichlorophenoxy)phenyl]-2-[hydroxy-phenyl-[4-(2,4,6-trichlorophenoxy)phenyl]methoxy]-3,3-dimethyl-1-phenylbutan-1-ol;(4-chlorophenyl)-[4-(4-chlorophenyl)sulfanylphenyl]methanol;(3-methylphenyl)-(4-phenylphenyl)methanol;phenyl-(4-phenylsulfanylphenyl)methanol is sourced from PubChem (CID 173451294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).