2,4-ditert-butyl-6-dicyclohexylphosphanylphenol

C26H43OP — CID 18541827

IUPAC2,4-ditert-butyl-6-dicyclohexylphosphanylphenol
SMILESCC(C)(C)c1cc(P(C2CCCCC2)C2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H43OP/c1-25(2,3)19-17-22(26(4,5)6)24(27)23(18-19)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,27H,7-16H2,1-6H3
InChIKeyRWEJXEFYBXWSKY-UHFFFAOYSA-N
MW402.60 g/mol
LogP7.76
Rot. Bonds3

About 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol

2,4-ditert-butyl-6-dicyclohexylphosphanylphenol (PubChem CID 18541827) has the molecular formula C26H43OP and a molecular weight of 402.60 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-dicyclohexylphosphanylphenol
PubChem CID18541827
Molecular FormulaC26H43OP
Molecular Weight402.60 g/mol
Exact Mass402.31
IUPAC Name2,4-ditert-butyl-6-dicyclohexylphosphanylphenol
SMILESCC(C)(C)c1cc(P(C2CCCCC2)C2CCCCC2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C26H43OP/c1-25(2,3)19-17-22(26(4,5)6)24(27)23(18-19)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,27H,7-16H2,1-6H3
InChIKeyRWEJXEFYBXWSKY-UHFFFAOYSA-N
XLogP7.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.60
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-ditert-butyl-6-(cyclohexylamino)phenol
CID 86118767
2,4-ditert-butyl-6-(cyclohexylsulfanylmethyl)phenol
CID 102028542
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-ditert-butylphenol
CID 101099598
2,4-ditert-butyl-6-[[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylamino]cyclohexyl]amino]methyl]phenol;trichlorocobalt
CID 175919926
3,5-ditert-butyl-N-[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]cyclohexyl]-2-hydroxybenzamide
CID 10952469
2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese(3+)
CID 137305952
2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;nickel
CID 137139639
2,4-ditert-butyl-6-[[2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;manganese;chloride
CID 146161249
chromium;2,4-ditert-butyl-6-[[(1S,2S)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;hydrochloride
CID 166597440
cobalt(3+);2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;triiodide
CID 173086543
chromium;2,4-ditert-butyl-6-[[(1R,2R)-2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol;chloride
CID 170923546
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol?
The IUPAC name of 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol (CID 18541827) is 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol is CC(C)(C)c1cc(P(C2CCCCC2)C2CCCCC2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol?
The InChIKey is RWEJXEFYBXWSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43OP/c1-25(2,3)19-17-22(26(4,5)6)24(27)23(18-19)28(20-13-9-7-10-14-20)21-15-11-8-12-16-21/h17-18,20-21,27H,7-16H2,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol?
2,4-ditert-butyl-6-dicyclohexylphosphanylphenol has a molecular weight of 402.60 g/mol, XLogP of 7.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-dicyclohexylphosphanylphenol is sourced from PubChem (CID 18541827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).