benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone

C51H34Cl4O7 — CID 159184900

IUPACbenzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C32H20Cl2O4.C13H8Cl2O.C6H6O2/c33-25-9-1-21(2-10-25)31(35)23-5-13-27(14-6-23)37-29-17-19-30(20-18-29)38-28-15-7-24(8-16-28)32(36)22-3-11-26(34)12-4-22;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-5-1-2-6(8)4-3-5/h1-20H;1-8H;1-4,7-8H
InChIKeyKNJASTUWIRQYLE-UHFFFAOYSA-N
MW900.64 g/mol
LogP14.36
Rot. Bonds10

About benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone

benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone (PubChem CID 159184900) has the molecular formula C51H34Cl4O7 and a molecular weight of 900.64 g/mol. Its IUPAC name is benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Namebenzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
PubChem CID159184900
Molecular FormulaC51H34Cl4O7
Molecular Weight900.64 g/mol
Exact Mass898.11
IUPAC Namebenzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)cc1.Oc1ccc(O)cc1
InChIInChI=1S/C32H20Cl2O4.C13H8Cl2O.C6H6O2/c33-25-9-1-21(2-10-25)31(35)23-5-13-27(14-6-23)37-29-17-19-30(20-18-29)38-28-15-7-24(8-16-28)32(36)22-3-11-26(34)12-4-22;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-5-1-2-6(8)4-3-5/h1-20H;1-8H;1-4,7-8H
InChIKeyKNJASTUWIRQYLE-UHFFFAOYSA-N
XLogP14.36
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.64
LogP ≤ 514.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[3-(4-chlorophenoxy)-4-hydroxyphenyl]-(4-chlorophenyl)methanone
CID 91388813
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
[4-[4-[4-(4-chlorobenzoyl)phenoxy]naphthalen-1-yl]oxyphenyl]-(4-chlorophenyl)methanone
CID 59847037
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
(4-hydroxyphenyl)-[4-(4-nitrophenoxy)phenyl]methanone
CID 139719116
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
CID 144963303
4-(4-hydroxyphenoxy)benzamide
CID 60869896
[4-(4-hydroxybenzoyl)phenyl] hypoiodite
CID 142136796
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The IUPAC name of benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone (CID 159184900) is benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone.
What is the SMILES notation for benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The canonical SMILES for benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)c1ccc(Oc2ccc(Oc3ccc(C(=O)c4ccc(Cl)cc4)cc3)cc2)cc1.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone?
The InChIKey is KNJASTUWIRQYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20Cl2O4.C13H8Cl2O.C6H6O2/c33-25-9-1-21(2-10-25)31(35)23-5-13-27(14-6-23)37-29-17-19-30(20-18-29)38-28-15-7-24(8-16-28)32(36)22-3-11-26(34)12-4-22;14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10;7-5-1-2-6(8)4-3-5/h1-20H;1-8H;1-4,7-8H.
What are the key properties of benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone?
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone has a molecular weight of 900.64 g/mol, XLogP of 14.36, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 159184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).