(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide

C16H12ClOP — CID 132548466

IUPAC(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide
SMILESO=[P@]1(c2ccccc2)C=CC(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C16H12ClOP/c17-15-8-6-13(7-9-15)14-10-11-19(18,12-14)16-4-2-1-3-5-16/h1-12H/t19-/m1/s1
InChIKeyMINOILWNGDJUDB-LJQANCHMSA-N
MW286.70 g/mol
LogP4.90
Rot. Bonds2

About (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide

(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide (PubChem CID 132548466) has the molecular formula C16H12ClOP and a molecular weight of 286.70 g/mol. Its IUPAC name is (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide.

Molecular Properties

Compound Name(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide
PubChem CID132548466
Molecular FormulaC16H12ClOP
Molecular Weight286.70 g/mol
Exact Mass286.03
IUPAC Name(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide
SMILESO=[P@]1(c2ccccc2)C=CC(c2ccc(Cl)cc2)=C1
InChIInChI=1S/C16H12ClOP/c17-15-8-6-13(7-9-15)14-10-11-19(18,12-14)16-4-2-1-3-5-16/h1-12H/t19-/m1/s1
InChIKeyMINOILWNGDJUDB-LJQANCHMSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.70
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-oxo-1-phenyl-1λ5-phosphinin-4-one
CID 122432827
3-bromo-2-(4-chlorophenyl)-1-phenylphosphindole 1-oxide
CID 122684935
1-chloro-4-phenylbenzene;isocyanic acid
CID 172802258
benzene;chlorobenzene
CID 159657667
3,4-bis(4-chlorophenyl)-1-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 71739226
bismuthane;chlorobenzene
CID 174535973
chlorobenzene;chromium
CID 139244081
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
azane;chlorobenzene
CID 20560159
1-chloro-4-phenylbenzene;methyl formate
CID 175142329
1-chloro-4-[4-(2-phenylethynyl)phenyl]benzene
CID 69325008
1-chloro-4-phenylbenzene;ethanamine
CID 174641678

Frequently Asked Questions

What is the IUPAC name of (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide?
The IUPAC name of (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide (CID 132548466) is (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide.
What is the SMILES notation for (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide?
The canonical SMILES for (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide is O=[P@]1(c2ccccc2)C=CC(c2ccc(Cl)cc2)=C1.
What is the InChIKey of (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide?
The InChIKey is MINOILWNGDJUDB-LJQANCHMSA-N. The full InChI is InChI=1S/C16H12ClOP/c17-15-8-6-13(7-9-15)14-10-11-19(18,12-14)16-4-2-1-3-5-16/h1-12H/t19-/m1/s1.
What are the key properties of (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide?
(1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide has a molecular weight of 286.70 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(4-chlorophenyl)-1-phenyl-1λ5-phosphole 1-oxide is sourced from PubChem (CID 132548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).