phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone

C16H17O4P — CID 70015637

IUPACphenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17O4P/c1-18-11-9-13(19-2)15(14(10-11)20-3)16(17)21-12-7-5-4-6-8-12/h4-10,21H,1-3H3
InChIKeyIJFKIRFBWHOGHD-UHFFFAOYSA-N
MW304.28 g/mol
LogP2.86
Rot. Bonds6

About phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone

phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 70015637) has the molecular formula C16H17O4P and a molecular weight of 304.28 g/mol. Its IUPAC name is phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Namephenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID70015637
Molecular FormulaC16H17O4P
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Namephenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCOc1cc(OC)c(C(=O)Pc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17O4P/c1-18-11-9-13(19-2)15(14(10-11)20-3)16(17)21-12-7-5-4-6-8-12/h4-10,21H,1-3H3
InChIKeyIJFKIRFBWHOGHD-UHFFFAOYSA-N
XLogP2.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513535
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
lithium;(2,6-dimethoxy-4-methylphenyl)-phenylphosphanylmethanone;hydride
CID 173244321
(4-phenylmethoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513508
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
[3,5-dibenzoyloxy-4-(2,6-dimethoxybenzoyl)phosphanylphenyl] benzoate
CID 139895708
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 173245466

Frequently Asked Questions

What is the IUPAC name of phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 70015637) is phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone is COc1cc(OC)c(C(=O)Pc2ccccc2)c(OC)c1.
What is the InChIKey of phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is IJFKIRFBWHOGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O4P/c1-18-11-9-13(19-2)15(14(10-11)20-3)16(17)21-12-7-5-4-6-8-12/h4-10,21H,1-3H3.
What are the key properties of phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone?
phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 304.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylphosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 70015637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).