2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol

C27H33O2P — CID 23082358

IUPAC2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
SMILESCC(C)(C)c1cccc(C(P)(c2ccccc2)c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C27H33O2P/c1-25(2,3)19-14-10-16-21(23(19)28)27(30,18-12-8-7-9-13-18)22-17-11-15-20(24(22)29)26(4,5)6/h7-17,28-29H,30H2,1-6H3
InChIKeyCENHDOIVTFDIHR-UHFFFAOYSA-N
MW420.53 g/mol
LogP6.86
Rot. Bonds3

About 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol

2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol (PubChem CID 23082358) has the molecular formula C27H33O2P and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
PubChem CID23082358
Molecular FormulaC27H33O2P
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC Name2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
SMILESCC(C)(C)c1cccc(C(P)(c2ccccc2)c2cccc(C(C)(C)C)c2O)c1O
InChIInChI=1S/C27H33O2P/c1-25(2,3)19-14-10-16-21(23(19)28)27(30,18-12-8-7-9-13-18)22-17-11-15-20(24(22)29)26(4,5)6/h7-17,28-29H,30H2,1-6H3
InChIKeyCENHDOIVTFDIHR-UHFFFAOYSA-N
XLogP6.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
CID 23082352
2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
2,6-ditert-butylphenol;2-methylpropanedioic acid
CID 158945163
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831
2-tert-butyl-6-methylphenol
CID 16678
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
CID 11225844
CID 11225844
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2-tert-butyl-6-methylphenol;methane
CID 159779150
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol (CID 23082358) is 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol is CC(C)(C)c1cccc(C(P)(c2ccccc2)c2cccc(C(C)(C)C)c2O)c1O.
What is the InChIKey of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol?
The InChIKey is CENHDOIVTFDIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33O2P/c1-25(2,3)19-14-10-16-21(23(19)28)27(30,18-12-8-7-9-13-18)22-17-11-15-20(24(22)29)26(4,5)6/h7-17,28-29H,30H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol?
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol has a molecular weight of 420.53 g/mol, XLogP of 6.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol is sourced from PubChem (CID 23082358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).