[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone

C21H27O7P — CID 18514415

IUPAC[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OC(C)OC)cc1OC(C)OC
InChIInChI=1S/C21H27O7P/c1-13(23-3)27-15-10-11-19(18(12-15)28-14(2)24-4)29-21(22)20-16(25-5)8-7-9-17(20)26-6/h7-14,29H,1-6H3
InChIKeyDCVXGAWGERSWDS-UHFFFAOYSA-N
MW422.41 g/mol
LogP3.59
Rot. Bonds11

About [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone

[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone (PubChem CID 18514415) has the molecular formula C21H27O7P and a molecular weight of 422.41 g/mol. Its IUPAC name is [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
PubChem CID18514415
Molecular FormulaC21H27O7P
Molecular Weight422.41 g/mol
Exact Mass422.15
IUPAC Name[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)Pc1ccc(OC(C)OC)cc1OC(C)OC
InChIInChI=1S/C21H27O7P/c1-13(23-3)27-15-10-11-19(18(12-15)28-14(2)24-4)29-21(22)20-16(25-5)8-7-9-17(20)26-6/h7-14,29H,1-6H3
InChIKeyDCVXGAWGERSWDS-UHFFFAOYSA-N
XLogP3.59
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)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
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 18513930
(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
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
lithium;[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173245168
lithium (2,4-dimethoxyphenyl)phosphanyl-(2,6-dimethylphenyl)methanone
CID 18515168
lithium;(2,6-dimethylphenyl)-[2,4-di(propan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173243873
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606
[2,6-bis(trifluoromethyl)phenyl]-[4-(1-methoxyethoxy)-2-methylphenyl]phosphanylmethanone
CID 173244485

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone (CID 18514415) is [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)Pc1ccc(OC(C)OC)cc1OC(C)OC.
What is the InChIKey of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone?
The InChIKey is DCVXGAWGERSWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O7P/c1-13(23-3)27-15-10-11-19(18(12-15)28-14(2)24-4)29-21(22)20-16(25-5)8-7-9-17(20)26-6/h7-14,29H,1-6H3.
What are the key properties of [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone?
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone has a molecular weight of 422.41 g/mol, XLogP of 3.59, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 18514415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).