4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol

C24H35O2P — CID 70807329

IUPAC4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
SMILESCCC[C@@](C)(Pc1ccc(C)cc1CO)c1cc(C(C)(C)C)cc(C)c1O
InChIInChI=1S/C24H35O2P/c1-8-11-24(7,27-21-10-9-16(2)12-18(21)15-25)20-14-19(23(4,5)6)13-17(3)22(20)26/h9-10,12-14,25-27H,8,11,15H2,1-7H3/t24-/m1/s1
InChIKeyASJRAFXECYWLRG-XMMPIXPASA-N
MW386.52 g/mol
LogP5.82
Rot. Bonds6

About 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol

4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol (PubChem CID 70807329) has the molecular formula C24H35O2P and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
PubChem CID70807329
Molecular FormulaC24H35O2P
Molecular Weight386.52 g/mol
Exact Mass386.24
IUPAC Name4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
SMILESCCC[C@@](C)(Pc1ccc(C)cc1CO)c1cc(C(C)(C)C)cc(C)c1O
InChIInChI=1S/C24H35O2P/c1-8-11-24(7,27-21-10-9-16(2)12-18(21)15-25)20-14-19(23(4,5)6)13-17(3)22(20)26/h9-10,12-14,25-27H,8,11,15H2,1-7H3/t24-/m1/s1
InChIKeyASJRAFXECYWLRG-XMMPIXPASA-N
XLogP5.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.82
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

4-tert-butyl-2-(2,3-dimethylheptan-2-yl)-6-[2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylhexan-2-yl]phenol
CID 89214627
4-tert-butyl-2-methyl-6-[2-[4-methyl-2-(1-sulfanylethyl)phenyl]phosphanylheptan-2-yl]phenol
CID 88968987
4-tert-butyl-2-methyl-6-[2-[2-(1-sulfanylethyl)phenyl]phosphanylhexan-2-yl]phenol
CID 89214508
4-tert-butyl-2-[2-[2-[di(propan-2-yl)amino]-6-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol
CID 71191515
4-tert-butyl-2-[2-[2-[hydroxy(phenyl)methyl]phenyl]phosphanylheptan-2-yl]-6-methylphenol
CID 71191496
4-methoxy-2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]phenol
CID 71191577
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
2-[2-[4-methyl-2-(methylaminomethyl)phenyl]phosphanylpentan-2-yl]-4-phenylphenol
CID 71191673
4-tert-butyl-2-methyl-6-[3-[4-methyl-2-(methyliminomethyl)phenyl]phosphanyloctan-3-yl]phenol
CID 71191539
4-tert-butyl-2-methyl-6-[2-(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]phenol
CID 89214517
[2-[2-(3-tert-butyl-5-methyl-2-phenylmethoxyphenyl)pentan-2-ylphosphanyl]phenyl]methanol
CID 71191686
4-tert-butyl-2-[3-[2-[(dimethylamino)methyl]-4-fluorophenyl]phosphanyloctan-3-yl]-6-methylphenol
CID 71191462

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The IUPAC name of 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol (CID 70807329) is 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol.
What is the SMILES notation for 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The canonical SMILES for 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol is CCC[C@@](C)(Pc1ccc(C)cc1CO)c1cc(C(C)(C)C)cc(C)c1O.
What is the InChIKey of 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
The InChIKey is ASJRAFXECYWLRG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H35O2P/c1-8-11-24(7,27-21-10-9-16(2)12-18(21)15-25)20-14-19(23(4,5)6)13-17(3)22(20)26/h9-10,12-14,25-27H,8,11,15H2,1-7H3/t24-/m1/s1.
What are the key properties of 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol?
4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol has a molecular weight of 386.52 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[(2R)-2-[2-(hydroxymethyl)-4-methylphenyl]phosphanylpentan-2-yl]-6-methylphenol is sourced from PubChem (CID 70807329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).