2-tert-butyl-6-ditert-butylphosphanylphenol

C18H31OP — CID 138583672

IUPAC2-tert-butyl-6-ditert-butylphosphanylphenol
SMILESCC(C)(C)c1cccc(P(C(C)(C)C)C(C)(C)C)c1O
InChIInChI=1S/C18H31OP/c1-16(2,3)13-11-10-12-14(15(13)19)20(17(4,5)6)18(7,8)9/h10-12,19H,1-9H3
InChIKeyCRSGKUMIDHOYGM-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.39
Rot. Bonds1

About 2-tert-butyl-6-ditert-butylphosphanylphenol

2-tert-butyl-6-ditert-butylphosphanylphenol (PubChem CID 138583672) has the molecular formula C18H31OP and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-tert-butyl-6-ditert-butylphosphanylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-ditert-butylphosphanylphenol
PubChem CID138583672
Molecular FormulaC18H31OP
Molecular Weight294.42 g/mol
Exact Mass294.21
IUPAC Name2-tert-butyl-6-ditert-butylphosphanylphenol
SMILESCC(C)(C)c1cccc(P(C(C)(C)C)C(C)(C)C)c1O
InChIInChI=1S/C18H31OP/c1-16(2,3)13-11-10-12-14(15(13)19)20(17(4,5)6)18(7,8)9/h10-12,19H,1-9H3
InChIKeyCRSGKUMIDHOYGM-UHFFFAOYSA-N
XLogP5.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.39
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

2,6-ditert-butylphenol;hydrazine;hydrate
CID 174824895
2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
CID 58660014
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-[methyl(diphenyl)silyl]phosphanyl]phenol
CID 87862059
[2,3-bis(2-tert-butylphenyl)phenyl]-ditert-butylphosphane
CID 172805245
2-tert-butyl-6-methylphenol
CID 16678
2-[bis(1-adamantyl)phosphanyl]-6-tert-butylphenol
CID 153426226
2-tert-butyl-6-methylphenol;methane
CID 159779150
CID 11225844
CID 11225844
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
tris(2-tert-butylphenyl)phosphane
CID 11475937
bis(2,6-ditert-butylphenol);methanidylbenzene;zirconium(2+)
CID 134902480
alumanyloxy(methyl)alumane;2,6-ditert-butylphenol
CID 173269586

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-ditert-butylphosphanylphenol?
The IUPAC name of 2-tert-butyl-6-ditert-butylphosphanylphenol (CID 138583672) is 2-tert-butyl-6-ditert-butylphosphanylphenol.
What is the SMILES notation for 2-tert-butyl-6-ditert-butylphosphanylphenol?
The canonical SMILES for 2-tert-butyl-6-ditert-butylphosphanylphenol is CC(C)(C)c1cccc(P(C(C)(C)C)C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-ditert-butylphosphanylphenol?
The InChIKey is CRSGKUMIDHOYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31OP/c1-16(2,3)13-11-10-12-14(15(13)19)20(17(4,5)6)18(7,8)9/h10-12,19H,1-9H3.
What are the key properties of 2-tert-butyl-6-ditert-butylphosphanylphenol?
2-tert-butyl-6-ditert-butylphosphanylphenol has a molecular weight of 294.42 g/mol, XLogP of 5.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-ditert-butylphosphanylphenol is sourced from PubChem (CID 138583672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).