2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol

C43H46ClN2O2P — CID 155657887

IUPAC2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol
SMILESOc1ccccc1-c1cn(CCCCCCCCCCP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2O)n1
InChIInChI=1S/C43H46ClN2O2P/c44-49(35-22-10-7-11-23-35,36-24-12-8-13-25-36,37-26-14-9-15-27-37)33-21-6-4-2-1-3-5-20-32-46-34-40(38-28-16-18-30-41(38)47)45-43(46)39-29-17-19-31-42(39)48/h7-19,22-31,34,47-48H,1-6,20-21,32-33H2
InChIKeyXKGXZPDXJHUOPX-UHFFFAOYSA-N
MW689.28 g/mol
LogP10.43
Rot. Bonds16

About 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol

2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol (PubChem CID 155657887) has the molecular formula C43H46ClN2O2P and a molecular weight of 689.28 g/mol. Its IUPAC name is 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol.

Molecular Properties

Compound Name2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol
PubChem CID155657887
Molecular FormulaC43H46ClN2O2P
Molecular Weight689.28 g/mol
Exact Mass688.30
IUPAC Name2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol
SMILESOc1ccccc1-c1cn(CCCCCCCCCCP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2O)n1
InChIInChI=1S/C43H46ClN2O2P/c44-49(35-22-10-7-11-23-35,36-24-12-8-13-25-36,37-26-14-9-15-27-37)33-21-6-4-2-1-3-5-20-32-46-34-40(38-28-16-18-30-41(38)47)45-43(46)39-29-17-19-31-42(39)48/h7-19,22-31,34,47-48H,1-6,20-21,32-33H2
InChIKeyXKGXZPDXJHUOPX-UHFFFAOYSA-N
XLogP10.43
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.28
LogP ≤ 510.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol?
The IUPAC name of 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol (CID 155657887) is 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol.
What is the SMILES notation for 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol?
The canonical SMILES for 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol is Oc1ccccc1-c1cn(CCCCCCCCCCP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2O)n1.
What is the InChIKey of 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol?
The InChIKey is XKGXZPDXJHUOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46ClN2O2P/c44-49(35-22-10-7-11-23-35,36-24-12-8-13-25-36,37-26-14-9-15-27-37)33-21-6-4-2-1-3-5-20-32-46-34-40(38-28-16-18-30-41(38)47)45-43(46)39-29-17-19-31-42(39)48/h7-19,22-31,34,47-48H,1-6,20-21,32-33H2.
What are the key properties of 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol?
2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol has a molecular weight of 689.28 g/mol, XLogP of 10.43, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[10-[chloro(triphenyl)-λ5-phosphanyl]decyl]-2-(2-hydroxyphenyl)imidazol-4-yl]phenol is sourced from PubChem (CID 155657887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).