[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid

C33H27O7P — CID 58750868

IUPAC[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(P(=O)(O)O)cc3)cc2)cc1
InChIInChI=1S/C33H27O7P/c1-33(24-6-12-27(34)13-7-24,25-8-14-28(35)15-9-25)26-10-18-30(19-11-26)40-29-16-2-22(3-17-29)32(36)23-4-20-31(21-5-23)41(37,38)39/h2-21,34-35H,1H3,(H2,37,38,39)
InChIKeyBANWFQLHZJIFJV-UHFFFAOYSA-N
MW566.55 g/mol
LogP6.28
Rot. Bonds8

About [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid

[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid (PubChem CID 58750868) has the molecular formula C33H27O7P and a molecular weight of 566.55 g/mol. Its IUPAC name is [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid
PubChem CID58750868
Molecular FormulaC33H27O7P
Molecular Weight566.55 g/mol
Exact Mass566.15
IUPAC Name[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(P(=O)(O)O)cc3)cc2)cc1
InChIInChI=1S/C33H27O7P/c1-33(24-6-12-27(34)13-7-24,25-8-14-28(35)15-9-25)26-10-18-30(19-11-26)40-29-16-2-22(3-17-29)32(36)23-4-20-31(21-5-23)41(37,38)39/h2-21,34-35H,1H3,(H2,37,38,39)
InChIKeyBANWFQLHZJIFJV-UHFFFAOYSA-N
XLogP6.28
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.55
LogP ≤ 56.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-[4-[4-[1-(4-methoxyphenyl)-1-[4-(4-methylphenoxy)phenyl]ethyl]phenoxy]benzoyl]phenyl]phosphonic acid
CID 58750882
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
CID 144963303
4-[1-(4-hydroxyphenyl)-1-(4-methoxyphenyl)ethyl]phenol
CID 19875161
[4-[1-(4-hydroxyphenyl)-1-(4-methylphenyl)ethyl]phenyl] acetate
CID 59036912

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid?
The IUPAC name of [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid (CID 58750868) is [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(P(=O)(O)O)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid?
The InChIKey is BANWFQLHZJIFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27O7P/c1-33(24-6-12-27(34)13-7-24,25-8-14-28(35)15-9-25)26-10-18-30(19-11-26)40-29-16-2-22(3-17-29)32(36)23-4-20-31(21-5-23)41(37,38)39/h2-21,34-35H,1H3,(H2,37,38,39).
What are the key properties of [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid?
[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid has a molecular weight of 566.55 g/mol, XLogP of 6.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid is sourced from PubChem (CID 58750868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).