methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol

C19H27O4P — CID 160884508

IUPACmethyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol
SMILESCC(C)c1cccc(O)c1.CC(C)c1cccc(OP(C)(=O)O)c1
InChIInChI=1S/C10H15O3P.C9H12O/c1-8(2)9-5-4-6-10(7-9)13-14(3,11)12;1-7(2)8-4-3-5-9(10)6-8/h4-8H,1-3H3,(H,11,12);3-7,10H,1-2H3
InChIKeySNLNPWUZASLBRR-UHFFFAOYSA-N
MW350.40 g/mol
LogP5.52
Rot. Bonds4

About methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol

methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol (PubChem CID 160884508) has the molecular formula C19H27O4P and a molecular weight of 350.40 g/mol. Its IUPAC name is methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol.

Molecular Properties

Compound Namemethyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol
PubChem CID160884508
Molecular FormulaC19H27O4P
Molecular Weight350.40 g/mol
Exact Mass350.16
IUPAC Namemethyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol
SMILESCC(C)c1cccc(O)c1.CC(C)c1cccc(OP(C)(=O)O)c1
InChIInChI=1S/C10H15O3P.C9H12O/c1-8(2)9-5-4-6-10(7-9)13-14(3,11)12;1-7(2)8-4-3-5-9(10)6-8/h4-8H,1-3H3,(H,11,12);3-7,10H,1-2H3
InChIKeySNLNPWUZASLBRR-UHFFFAOYSA-N
XLogP5.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.40
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol?
The IUPAC name of methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol (CID 160884508) is methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol.
What is the SMILES notation for methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol?
The canonical SMILES for methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol is CC(C)c1cccc(O)c1.CC(C)c1cccc(OP(C)(=O)O)c1.
What is the InChIKey of methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol?
The InChIKey is SNLNPWUZASLBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O3P.C9H12O/c1-8(2)9-5-4-6-10(7-9)13-14(3,11)12;1-7(2)8-4-3-5-9(10)6-8/h4-8H,1-3H3,(H,11,12);3-7,10H,1-2H3.
What are the key properties of methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol?
methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol has a molecular weight of 350.40 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-propan-2-ylphenoxy)phosphinic acid;3-propan-2-ylphenol is sourced from PubChem (CID 160884508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).