4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol

C21H29O2P — CID 23082212

IUPAC4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C(P)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C21H29O2P/c1-20(2,3)13-7-9-17(22)15(11-13)19(24)16-12-14(21(4,5)6)8-10-18(16)23/h7-12,19,22-23H,24H2,1-6H3
InChIKeyUYRIKDIBUFKLMY-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.66
Rot. Bonds2

About 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol

4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol (PubChem CID 23082212) has the molecular formula C21H29O2P and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
PubChem CID23082212
Molecular FormulaC21H29O2P
Molecular Weight344.44 g/mol
Exact Mass344.19
IUPAC Name4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol
SMILESCC(C)(C)c1ccc(O)c(C(P)c2cc(C(C)(C)C)ccc2O)c1
InChIInChI=1S/C21H29O2P/c1-20(2,3)13-7-9-17(22)15(11-13)19(24)16-12-14(21(4,5)6)8-10-18(16)23/h7-12,19,22-23H,24H2,1-6H3
InChIKeyUYRIKDIBUFKLMY-UHFFFAOYSA-N
XLogP5.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722
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CID 66514668
2-(5-tert-butyl-2-hydroxyphenyl)-4,4-dimethylpentanoic acid
CID 175095952
4-tert-butyl-2-(2-hydroxypropan-2-yl)phenol
CID 70581973
(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
CID 23621756
4-tert-butyl-2-fluorophenol
CID 11062790
4-tert-butyl-2-[1,2,2-tris(5-tert-butyl-2-hydroxyphenyl)ethenyl]phenol
CID 90829503
4-[2-(4-hydroxy-3-propan-2-ylphenyl)propan-2-yl]-2-propan-2-ylphenol;propane
CID 160951068
[5-[2-[4-[1,1-bis[3-(dihydroxymethyl)-4-hydroxyphenyl]ethyl]phenyl]propan-2-yl]-2-hydroxyphenyl]methanediol
CID 69108103
2-(1-aminoethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117377747
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-propan-2-ylphenol
CID 18943218

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol?
The IUPAC name of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol (CID 23082212) is 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol is CC(C)(C)c1ccc(O)c(C(P)c2cc(C(C)(C)C)ccc2O)c1.
What is the InChIKey of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol?
The InChIKey is UYRIKDIBUFKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29O2P/c1-20(2,3)13-7-9-17(22)15(11-13)19(24)16-12-14(21(4,5)6)8-10-18(16)23/h7-12,19,22-23H,24H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol?
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol has a molecular weight of 344.44 g/mol, XLogP of 5.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-phosphanylmethyl]phenol is sourced from PubChem (CID 23082212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).