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

C117H102Cl2F6O23S — CID 159445137

IUPACbenzene-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
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C17H18O4.C15H10F6O2.C15H16O2.C14H10Cl2O2.C13H10O3.C13H12O2.C12H10O4S.C12H10O2.C6H6O2/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-1-2-6(8)4-3-5/h2-9,18-19H,10-11H2,1H3,(H,20,21);1-8,22-23H;3-10,16-17H,1-2H3;1-8,17-18H;1-8,14-15H;1-8,14-15H,9H2;1-8,13-14H;1-8,13-14H;1-4,7-8H
InChIKeyLSQZHAMCUCSUTE-UHFFFAOYSA-N
MW2093.04 g/mol
LogP26.30
Rot. Bonds18

About 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

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 (PubChem CID 159445137) has the molecular formula C117H102Cl2F6O23S and a molecular weight of 2093.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebenzene-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
PubChem CID159445137
Molecular FormulaC117H102Cl2F6O23S
Molecular Weight2093.04 g/mol
Exact Mass2090.58
IUPAC Namebenzene-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
SMILESCC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C17H18O4.C15H10F6O2.C15H16O2.C14H10Cl2O2.C13H10O3.C13H12O2.C12H10O4S.C12H10O2.C6H6O2/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-1-2-6(8)4-3-5/h2-9,18-19H,10-11H2,1H3,(H,20,21);1-8,22-23H;3-10,16-17H,1-2H3;1-8,17-18H;1-8,14-15H;1-8,14-15H,9H2;1-8,13-14H;1-8,13-14H;1-4,7-8H
InChIKeyLSQZHAMCUCSUTE-UHFFFAOYSA-N
XLogP26.30
TPSA452.65 Ų
H-Bond Donors19
H-Bond Acceptors22
Rotatable Bonds18
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002093.04
LogP ≤ 526.30
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(c1ccc(O)cc1)c1ccc(O)cc1.CC(CCC(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(c1ccc(O)cc1)c1ccc(O)cc1.O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1.Oc1ccc(-c2ccc(O)cc2)cc1.Oc1ccc(C(=C(Cl)Cl)c2ccc(O)cc2)cc1.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.Oc1ccc(Cc2ccc(O)cc2)cc1.Oc1ccc(O)cc1.
What is the InChIKey of 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?
The InChIKey is LSQZHAMCUCSUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4.C15H10F6O2.C15H16O2.C14H10Cl2O2.C13H10O3.C13H12O2.C12H10O4S.C12H10O2.C6H6O2/c1-17(11-10-16(20)21,12-2-6-14(18)7-3-12)13-4-8-15(19)9-5-13;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;7-5-1-2-6(8)4-3-5/h2-9,18-19H,10-11H2,1H3,(H,20,21);1-8,22-23H;3-10,16-17H,1-2H3;1-8,17-18H;1-8,14-15H;1-8,14-15H,9H2;1-8,13-14H;1-8,13-14H;1-4,7-8H.
What are the key properties of 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?
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 has a molecular weight of 2093.04 g/mol, XLogP of 26.30, 18 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159445137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).