4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol

C50H41O4P — CID 153401590

IUPAC4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(OP(c3ccccc3)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C50H41O4P/c51-41-29-21-37(22-30-41)49(38-23-31-42(52)32-24-38)50(39-25-33-43(53)34-26-39)40-27-35-44(36-28-40)54-55(45-13-5-1-6-14-45,46-15-7-2-8-16-46,47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-36,49-53H
InChIKeyIIUROLHYWZVSGO-UHFFFAOYSA-N
MW736.85 g/mol
LogP9.92
Rot. Bonds11

About 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol

4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol (PubChem CID 153401590) has the molecular formula C50H41O4P and a molecular weight of 736.85 g/mol. Its IUPAC name is 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol
PubChem CID153401590
Molecular FormulaC50H41O4P
Molecular Weight736.85 g/mol
Exact Mass736.27
IUPAC Name4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(OP(c3ccccc3)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C50H41O4P/c51-41-29-21-37(22-30-41)49(38-23-31-42(52)32-24-38)50(39-25-33-43(53)34-26-39)40-27-35-44(36-28-40)54-55(45-13-5-1-6-14-45,46-15-7-2-8-16-46,47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-36,49-53H
InChIKeyIIUROLHYWZVSGO-UHFFFAOYSA-N
XLogP9.92
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.85
LogP ≤ 59.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(4-methylphenyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
CID 153401513
4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
CID 153401593
3-[[4-[[4-[bis(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]phenoxy]-bis(2-carboxyethyl)-phenyl-λ5-phosphanyl]propanoic acid
CID 153401413
2-[2-(2-hydroxyphenyl)-1,2-bis(4-hydroxyphenyl)ethyl]phenol
CID 67705842
[4-[1,2,2-tris(4-hydroxyphenyl)ethyl]phenyl] acetate
CID 139697360
4-[1,2,2-tris(4-prop-2-enoxyphenyl)ethyl]phenol
CID 118013728
4-[phenoxy(phenyl)methyl]phenol
CID 174712499
molybdenum;phenol
CID 154246724
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
(2S)-2-amino-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 90046511
4-[3-(4-hydroxyphenyl)-2,3-diphenylpropyl]phenol
CID 70441435
triphenoxy(diphenyl)-λ5-phosphane
CID 54432182

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol?
The IUPAC name of 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol (CID 153401590) is 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol.
What is the SMILES notation for 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol?
The canonical SMILES for 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C(c2ccc(O)cc2)c2ccc(OP(c3ccccc3)(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol?
The InChIKey is IIUROLHYWZVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41O4P/c51-41-29-21-37(22-30-41)49(38-23-31-42(52)32-24-38)50(39-25-33-43(53)34-26-39)40-27-35-44(36-28-40)54-55(45-13-5-1-6-14-45,46-15-7-2-8-16-46,47-17-9-3-10-18-47)48-19-11-4-12-20-48/h1-36,49-53H.
What are the key properties of 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol?
4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol has a molecular weight of 736.85 g/mol, XLogP of 9.92, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis(4-hydroxyphenyl)-2-[4-(tetraphenyl-λ5-phosphanyl)oxyphenyl]ethyl]phenol is sourced from PubChem (CID 153401590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).