tert-butyl-(1-phenylindol-2-yl)phosphinic acid

C18H20NO2P — CID 139167073

IUPACtert-butyl-(1-phenylindol-2-yl)phosphinic acid
SMILESCC(C)(C)P(=O)(O)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H20NO2P/c1-18(2,3)22(20,21)17-13-14-9-7-8-12-16(14)19(17)15-10-5-4-6-11-15/h4-13H,1-3H3,(H,20,21)
InChIKeyLPSVBRIAYLIMPX-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.32
Rot. Bonds2

About tert-butyl-(1-phenylindol-2-yl)phosphinic acid

tert-butyl-(1-phenylindol-2-yl)phosphinic acid (PubChem CID 139167073) has the molecular formula C18H20NO2P and a molecular weight of 313.34 g/mol. Its IUPAC name is tert-butyl-(1-phenylindol-2-yl)phosphinic acid.

Molecular Properties

Compound Nametert-butyl-(1-phenylindol-2-yl)phosphinic acid
PubChem CID139167073
Molecular FormulaC18H20NO2P
Molecular Weight313.34 g/mol
Exact Mass313.12
IUPAC Nametert-butyl-(1-phenylindol-2-yl)phosphinic acid
SMILESCC(C)(C)P(=O)(O)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C18H20NO2P/c1-18(2,3)22(20,21)17-13-14-9-7-8-12-16(14)19(17)15-10-5-4-6-11-15/h4-13H,1-3H3,(H,20,21)
InChIKeyLPSVBRIAYLIMPX-UHFFFAOYSA-N
XLogP4.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.32
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

ditert-butyl-(1-phenylindol-2-yl)phosphane
CID 11175133
3-(methylsulfanylmethyl)-1-phenylquinolin-2-one
CID 19021643
1,2-bis(4-methylphenyl)indole
CID 151814608
ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(1-phenylindol-2-yl)acetate
CID 70813717
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
CID 58651990
CID 58651990
N,N-dimethyl-4-(2-phenylindol-1-yl)cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 143214514
1-(4-tert-butylphenyl)-2-chloroindole
CID 91362505
2-[4-[diphenyl-[4-(3-phenylnaphthalen-2-yl)phenyl]methyl]phenyl]-1-phenylindole
CID 142142857
3-(methylsulfinylmethyl)-1-phenylquinolin-2-one
CID 19021632
1-(3-methylphenyl)-2-phenylindole
CID 101372494
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(1-phenylindol-2-yl)phosphinic acid?
The IUPAC name of tert-butyl-(1-phenylindol-2-yl)phosphinic acid (CID 139167073) is tert-butyl-(1-phenylindol-2-yl)phosphinic acid.
What is the SMILES notation for tert-butyl-(1-phenylindol-2-yl)phosphinic acid?
The canonical SMILES for tert-butyl-(1-phenylindol-2-yl)phosphinic acid is CC(C)(C)P(=O)(O)c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of tert-butyl-(1-phenylindol-2-yl)phosphinic acid?
The InChIKey is LPSVBRIAYLIMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO2P/c1-18(2,3)22(20,21)17-13-14-9-7-8-12-16(14)19(17)15-10-5-4-6-11-15/h4-13H,1-3H3,(H,20,21).
What are the key properties of tert-butyl-(1-phenylindol-2-yl)phosphinic acid?
tert-butyl-(1-phenylindol-2-yl)phosphinic acid has a molecular weight of 313.34 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(1-phenylindol-2-yl)phosphinic acid is sourced from PubChem (CID 139167073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).