(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone

C25H35O10P — CID 18514236

IUPAC(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
SMILESCOc1cc(OC)c(C(=O)Pc2c(OC(C)OC)cc(OC(C)OC)cc2OC(C)OC)c(OC)c1
InChIInChI=1S/C25H35O10P/c1-14(27-4)33-18-12-21(34-15(2)28-5)24(22(13-18)35-16(3)29-6)36-25(26)23-19(31-8)10-17(30-7)11-20(23)32-9/h10-16,36H,1-9H3
InChIKeyQJXQPJPZUDBCFH-UHFFFAOYSA-N
MW526.52 g/mol
LogP3.97
Rot. Bonds15

About (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone

(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone (PubChem CID 18514236) has the molecular formula C25H35O10P and a molecular weight of 526.52 g/mol. Its IUPAC name is (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
PubChem CID18514236
Molecular FormulaC25H35O10P
Molecular Weight526.52 g/mol
Exact Mass526.20
IUPAC Name(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
SMILESCOc1cc(OC)c(C(=O)Pc2c(OC(C)OC)cc(OC(C)OC)cc2OC(C)OC)c(OC)c1
InChIInChI=1S/C25H35O10P/c1-14(27-4)33-18-12-21(34-15(2)28-5)24(22(13-18)35-16(3)29-6)36-25(26)23-19(31-8)10-17(30-7)11-20(23)32-9/h10-16,36H,1-9H3
InChIKeyQJXQPJPZUDBCFH-UHFFFAOYSA-N
XLogP3.97
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245941
[2,4-bis(1-methoxyethoxy)phenyl]phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514415
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
lithium;(2-chloro-6-methylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245190
lithium [2,4-bis(1-ethoxyethoxy)phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18513827
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955
lithium;hydride;(2,4,6-trimethoxyphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 173245466
[4-(1-ethoxyethoxy)-2-methylphenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 70016913
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095

Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone (CID 18514236) is (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone is COc1cc(OC)c(C(=O)Pc2c(OC(C)OC)cc(OC(C)OC)cc2OC(C)OC)c(OC)c1.
What is the InChIKey of (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone?
The InChIKey is QJXQPJPZUDBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O10P/c1-14(27-4)33-18-12-21(34-15(2)28-5)24(22(13-18)35-16(3)29-6)36-25(26)23-19(31-8)10-17(30-7)11-20(23)32-9/h10-16,36H,1-9H3.
What are the key properties of (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone?
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone has a molecular weight of 526.52 g/mol, XLogP of 3.97, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18514236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).