(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

C20H24ClO4P — CID 18514959

IUPAC(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2Cl)c(OCC)c1
InChIInChI=1S/C20H24ClO4P/c1-5-23-14-11-16(24-6-2)19(17(12-14)25-7-3)26-20(22)18-13(4)9-8-10-15(18)21/h8-12,26H,5-7H2,1-4H3
InChIKeySPDGBLZTIUPZII-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.99
Rot. Bonds9

About (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (PubChem CID 18514959) has the molecular formula C20H24ClO4P and a molecular weight of 394.84 g/mol. Its IUPAC name is (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
PubChem CID18514959
Molecular FormulaC20H24ClO4P
Molecular Weight394.84 g/mol
Exact Mass394.11
IUPAC Name(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2Cl)c(OCC)c1
InChIInChI=1S/C20H24ClO4P/c1-5-23-14-11-16(24-6-2)19(17(12-14)25-7-3)26-20(22)18-13(4)9-8-10-15(18)21/h8-12,26H,5-7H2,1-4H3
InChIKeySPDGBLZTIUPZII-UHFFFAOYSA-N
XLogP4.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.99
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

(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
CID 70013385
CID 70013385
CID 70014966
CID 70014966
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium;(2-chloro-6-methoxyphenyl)-(4-ethoxy-2-methylphenyl)phosphanylmethanone;hydride
CID 173243257

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The IUPAC name of (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (CID 18514959) is (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is CCOc1cc(OCC)c(PC(=O)c2c(C)cccc2Cl)c(OCC)c1.
What is the InChIKey of (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The InChIKey is SPDGBLZTIUPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClO4P/c1-5-23-14-11-16(24-6-2)19(17(12-14)25-7-3)26-20(22)18-13(4)9-8-10-15(18)21/h8-12,26H,5-7H2,1-4H3.
What are the key properties of (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone has a molecular weight of 394.84 g/mol, XLogP of 4.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).