[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone

C20H17OP — CID 150106047

IUPAC[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone
SMILESCc1ccccc1P(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17OP/c1-16-10-8-9-15-19(16)22(18-13-6-3-7-14-18)20(21)17-11-4-2-5-12-17/h2-15H,1H3
InChIKeyDWGJFFSJKZAKKO-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.27
Rot. Bonds4

About [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone

[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone (PubChem CID 150106047) has the molecular formula C20H17OP and a molecular weight of 304.33 g/mol. Its IUPAC name is [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone.

Molecular Properties

Compound Name[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone
PubChem CID150106047
Molecular FormulaC20H17OP
Molecular Weight304.33 g/mol
Exact Mass304.10
IUPAC Name[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone
SMILESCc1ccccc1P(C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17OP/c1-16-10-8-9-15-19(16)22(18-13-6-3-7-14-18)20(21)17-11-4-2-5-12-17/h2-15H,1H3
InChIKeyDWGJFFSJKZAKKO-UHFFFAOYSA-N
XLogP4.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.27
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

[2-(2-diphenylphosphanyl-6-methylphenyl)-3-methylphenyl]-diphenylphosphane;ruthenium(2+);dibenzoate
CID 21296878
bis(2-methylbenzoyl)phosphanyl-(2-methylphenyl)methanone;triphenylphosphane
CID 90341440
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[2-[2-(2-methylphenyl)phenyl]phenyl]-diphenylphosphane
CID 142046194
2,2,2-trifluoroacetic acid;tris(2-methylphenyl)phosphane
CID 174418794
methoxy-(2-methylphenyl)-phenylphosphane
CID 151818468
1-(2-methylphenyl)ethanone;1-phenylethanone
CID 160893925
1,3-bis(diphenylphosphanyl)propane-1,3-dione
CID 13144216
(2,6-dimethylphenyl) 2-[methyl(phenyl)phosphanyl]benzoate
CID 24755089
(2-methylphenyl)-[3-[(2-methylphenyl)-phenylphosphanyl]propyl]-phenylphosphane
CID 18962661
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
bis(1-(2,3-dimethylphenyl)-2-phenylethane-1,2-dione);tris(1,2-diphenylethane-1,2-dione)
CID 173395381

Frequently Asked Questions

What is the IUPAC name of [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone?
The IUPAC name of [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone (CID 150106047) is [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone.
What is the SMILES notation for [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone?
The canonical SMILES for [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone is Cc1ccccc1P(C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone?
The InChIKey is DWGJFFSJKZAKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17OP/c1-16-10-8-9-15-19(16)22(18-13-6-3-7-14-18)20(21)17-11-4-2-5-12-17/h2-15H,1H3.
What are the key properties of [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone?
[(2-methylphenyl)-phenylphosphanyl]-phenylmethanone has a molecular weight of 304.33 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylphenyl)-phenylphosphanyl]-phenylmethanone is sourced from PubChem (CID 150106047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).