(2-tert-butylphenoxy)-phenylphosphinous acid

C16H19O2P — CID 151933242

IUPAC(2-tert-butylphenoxy)-phenylphosphinous acid
SMILESCC(C)(C)c1ccccc1OP(O)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-16(2,3)14-11-7-8-12-15(14)18-19(17)13-9-5-4-6-10-13/h4-12,17H,1-3H3
InChIKeyPDLBDSPRJUDFES-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.99
Rot. Bonds3

About (2-tert-butylphenoxy)-phenylphosphinous acid

(2-tert-butylphenoxy)-phenylphosphinous acid (PubChem CID 151933242) has the molecular formula C16H19O2P and a molecular weight of 274.30 g/mol. Its IUPAC name is (2-tert-butylphenoxy)-phenylphosphinous acid.

Molecular Properties

Compound Name(2-tert-butylphenoxy)-phenylphosphinous acid
PubChem CID151933242
Molecular FormulaC16H19O2P
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name(2-tert-butylphenoxy)-phenylphosphinous acid
SMILESCC(C)(C)c1ccccc1OP(O)c1ccccc1
InChIInChI=1S/C16H19O2P/c1-16(2,3)14-11-7-8-12-15(14)18-19(17)13-9-5-4-6-10-13/h4-12,17H,1-3H3
InChIKeyPDLBDSPRJUDFES-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-tert-butylphenyl) dihydroxyphosphanyl hydrogen phosphite
CID 154036014
bis(2-tert-butylphenoxy)-(4-tert-butylphenyl)phosphane
CID 54542176
(2-tert-butylphenoxy)-di(propan-2-yl)phosphane
CID 11346160
(2-tert-butylphenoxy)-(3-methoxyphenoxy)-phenylphosphane
CID 142114981
bis(2-tert-butylphenyl) (2,5-ditert-butylphenyl) phosphite
CID 54014526
[2-[[2-bis(2-tert-butylphenoxy)phosphanyloxyphenyl]-dimethylsilyl]phenyl] bis(2-tert-butylphenyl) phosphite
CID 58931579
bis(2,4-ditert-butyl-5-methylphenoxy)-phenylphosphane
CID 58892302
(2-tert-butylphenyl) N-phenylcarbamate
CID 681743
chloro-(2,6-ditert-butylphenoxy)-phenylphosphane
CID 54014120
(2-tert-butylphenyl) benzoate
CID 734595
(2-tert-butylphenyl) bis(3,6-ditert-butylnaphthalen-2-yl) phosphite
CID 23002710
butyl bis(2-tert-butylphenyl) phosphite
CID 141233548

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenoxy)-phenylphosphinous acid?
The IUPAC name of (2-tert-butylphenoxy)-phenylphosphinous acid (CID 151933242) is (2-tert-butylphenoxy)-phenylphosphinous acid.
What is the SMILES notation for (2-tert-butylphenoxy)-phenylphosphinous acid?
The canonical SMILES for (2-tert-butylphenoxy)-phenylphosphinous acid is CC(C)(C)c1ccccc1OP(O)c1ccccc1.
What is the InChIKey of (2-tert-butylphenoxy)-phenylphosphinous acid?
The InChIKey is PDLBDSPRJUDFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O2P/c1-16(2,3)14-11-7-8-12-15(14)18-19(17)13-9-5-4-6-10-13/h4-12,17H,1-3H3.
What are the key properties of (2-tert-butylphenoxy)-phenylphosphinous acid?
(2-tert-butylphenoxy)-phenylphosphinous acid has a molecular weight of 274.30 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenoxy)-phenylphosphinous acid is sourced from PubChem (CID 151933242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).