bis(5-tert-butyl-2-methylphenyl)phosphinous acid

C22H31OP — CID 71196791

IUPACbis(5-tert-butyl-2-methylphenyl)phosphinous acid
SMILESCc1ccc(C(C)(C)C)cc1P(O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C22H31OP/c1-15-9-11-17(21(3,4)5)13-19(15)24(23)20-14-18(22(6,7)8)12-10-16(20)2/h9-14,23H,1-8H3
InChIKeyDAXHNNVEIRHJET-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.24
Rot. Bonds2

About bis(5-tert-butyl-2-methylphenyl)phosphinous acid

bis(5-tert-butyl-2-methylphenyl)phosphinous acid (PubChem CID 71196791) has the molecular formula C22H31OP and a molecular weight of 342.46 g/mol. Its IUPAC name is bis(5-tert-butyl-2-methylphenyl)phosphinous acid.

Molecular Properties

Compound Namebis(5-tert-butyl-2-methylphenyl)phosphinous acid
PubChem CID71196791
Molecular FormulaC22H31OP
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Namebis(5-tert-butyl-2-methylphenyl)phosphinous acid
SMILESCc1ccc(C(C)(C)C)cc1P(O)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C22H31OP/c1-15-9-11-17(21(3,4)5)13-19(15)24(23)20-14-18(22(6,7)8)12-10-16(20)2/h9-14,23H,1-8H3
InChIKeyDAXHNNVEIRHJET-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.24
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

N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
5-tert-butyl-2-methylaniline
CID 13089979
tris[2-methyl-5-(trifluoromethyl)phenyl]phosphane
CID 102469414
2,5-ditert-butyl-1,3-dimethylindole
CID 59882822
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
5-tert-butyl-2-methylbenzenecarbothioamide
CID 82077580
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631
bis(2,3,4-trimethylphenyl)phosphinous acid
CID 175402042
4-tert-butyl-1,2-dimethylbenzene;ditert-butyl-[[4-tert-butyl-2-(ditert-butylphosphanylmethyl)phenyl]methyl]phosphane
CID 159028683
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
N-[(5-tert-butyl-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 82129150

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-2-methylphenyl)phosphinous acid?
The IUPAC name of bis(5-tert-butyl-2-methylphenyl)phosphinous acid (CID 71196791) is bis(5-tert-butyl-2-methylphenyl)phosphinous acid.
What is the SMILES notation for bis(5-tert-butyl-2-methylphenyl)phosphinous acid?
The canonical SMILES for bis(5-tert-butyl-2-methylphenyl)phosphinous acid is Cc1ccc(C(C)(C)C)cc1P(O)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of bis(5-tert-butyl-2-methylphenyl)phosphinous acid?
The InChIKey is DAXHNNVEIRHJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31OP/c1-15-9-11-17(21(3,4)5)13-19(15)24(23)20-14-18(22(6,7)8)12-10-16(20)2/h9-14,23H,1-8H3.
What are the key properties of bis(5-tert-butyl-2-methylphenyl)phosphinous acid?
bis(5-tert-butyl-2-methylphenyl)phosphinous acid has a molecular weight of 342.46 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-tert-butyl-2-methylphenyl)phosphinous acid is sourced from PubChem (CID 71196791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).