(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

C21H27O4P — CID 18514742

IUPAC(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1
InChIInChI=1S/C21H27O4P/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5/h9-13,26H,6-8H2,1-5H3
InChIKeyNIQLWJUBTKIQNA-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.64
Rot. Bonds9

About (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone

(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (PubChem CID 18514742) has the molecular formula C21H27O4P and a molecular weight of 374.42 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
PubChem CID18514742
Molecular FormulaC21H27O4P
Molecular Weight374.42 g/mol
Exact Mass374.16
IUPAC Name(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
SMILESCCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1
InChIInChI=1S/C21H27O4P/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5/h9-13,26H,6-8H2,1-5H3
InChIKeyNIQLWJUBTKIQNA-UHFFFAOYSA-N
XLogP4.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.64
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

CID 70015738
CID 70015738
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium (2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514587
lithium (2,6-dimethylphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18514819
lithium;(2-chloro-6-methoxyphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone;hydride
CID 173245877
CID 70013385
CID 70013385
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514070
CID 70014251
CID 70014251
lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The IUPAC name of (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone (CID 18514742) is (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The canonical SMILES for (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is CCOc1cc(OCC)c(PC(=O)c2c(C)cccc2C)c(OCC)c1.
What is the InChIKey of (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
The InChIKey is NIQLWJUBTKIQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O4P/c1-6-23-16-12-17(24-7-2)20(18(13-16)25-8-3)26-21(22)19-14(4)10-9-11-15(19)5/h9-13,26H,6-8H2,1-5H3.
What are the key properties of (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone?
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone has a molecular weight of 374.42 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).