4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol

C44H45O7P — CID 153401593

IUPAC4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
SMILESCOCP(COC)(COC)(Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C44H45O7P/c1-48-29-52(30-49-2,31-50-3,42-7-5-4-6-8-42)51-41-27-19-37(20-28-41)44(36-17-25-40(47)26-18-36)33-11-9-32(10-12-33)43(34-13-21-38(45)22-14-34)35-15-23-39(46)24-16-35/h4-28,43-47H,29-31H2,1-3H3
InChIKeyATWYZGXDPWEKTI-UHFFFAOYSA-N
MW716.81 g/mol
LogP9.15
Rot. Bonds15

About 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol

4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol (PubChem CID 153401593) has the molecular formula C44H45O7P and a molecular weight of 716.81 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
PubChem CID153401593
Molecular FormulaC44H45O7P
Molecular Weight716.81 g/mol
Exact Mass716.29
IUPAC Name4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol
SMILESCOCP(COC)(COC)(Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C44H45O7P/c1-48-29-52(30-49-2,31-50-3,42-7-5-4-6-8-42)51-41-27-19-37(20-28-41)44(36-17-25-40(47)26-18-36)33-11-9-32(10-12-33)43(34-13-21-38(45)22-14-34)35-15-23-39(46)24-16-35/h4-28,43-47H,29-31H2,1-3H3
InChIKeyATWYZGXDPWEKTI-UHFFFAOYSA-N
XLogP9.15
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.81
LogP ≤ 59.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol (CID 153401593) is 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol is COCP(COC)(COC)(Oc1ccc(C(c2ccc(O)cc2)c2ccc(C(c3ccc(O)cc3)c3ccc(O)cc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
The InChIKey is ATWYZGXDPWEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45O7P/c1-48-29-52(30-49-2,31-50-3,42-7-5-4-6-8-42)51-41-27-19-37(20-28-41)44(36-17-25-40(47)26-18-36)33-11-9-32(10-12-33)43(34-13-21-38(45)22-14-34)35-15-23-39(46)24-16-35/h4-28,43-47H,29-31H2,1-3H3.
What are the key properties of 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol?
4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol has a molecular weight of 716.81 g/mol, XLogP of 9.15, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-[4-[(4-hydroxyphenyl)-[4-[tris(methoxymethyl)-phenyl-λ5-phosphanyl]oxyphenyl]methyl]phenyl]methyl]phenol is sourced from PubChem (CID 153401593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).