[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C21H27O6P — CID 70016913

IUPAC[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(C)c1
InChIInChI=1S/C21H27O6P/c1-7-26-14(3)27-15-8-9-19(13(2)10-15)28-21(22)20-17(24-5)11-16(23-4)12-18(20)25-6/h8-12,14,28H,7H2,1-6H3
InChIKeyHTRMXMTUUOSYTB-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.93
Rot. Bonds10

About [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone

[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 70016913) has the molecular formula C21H27O6P and a molecular weight of 406.42 g/mol. Its IUPAC name is [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID70016913
Molecular FormulaC21H27O6P
Molecular Weight406.42 g/mol
Exact Mass406.15
IUPAC Name[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(C)c1
InChIInChI=1S/C21H27O6P/c1-7-26-14(3)27-15-8-9-19(13(2)10-15)28-21(22)20-17(24-5)11-16(23-4)12-18(20)25-6/h8-12,14,28H,7H2,1-6H3
InChIKeyHTRMXMTUUOSYTB-UHFFFAOYSA-N
XLogP3.93
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
lithium;hydride;[2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 173244960
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
CID 70015545
CID 70015545
lithium;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
[2,4-bis[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18515293
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930

Frequently Asked Questions

What is the IUPAC name of [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 70016913) is [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is CCOC(C)Oc1ccc(PC(=O)c2c(OC)cc(OC)cc2OC)c(C)c1.
What is the InChIKey of [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is HTRMXMTUUOSYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O6P/c1-7-26-14(3)27-15-8-9-19(13(2)10-15)28-21(22)20-17(24-5)11-16(23-4)12-18(20)25-6/h8-12,14,28H,7H2,1-6H3.
What are the key properties of [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 406.42 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 70016913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).