(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone

C26H36ClO8P — CID 70012807

IUPAC(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1cc(OCCOCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCCOCC)c1
InChIInChI=1S/C26H36ClO8P/c1-5-30-11-14-33-19-17-22(34-15-12-31-6-2)25(23(18-19)35-16-13-32-7-3)36-26(28)24-20(27)9-8-10-21(24)29-4/h8-10,17-18,36H,5-7,11-16H2,1-4H3
InChIKeyVXQMYXXQNGHASK-UHFFFAOYSA-N
MW542.99 g/mol
LogP4.74
Rot. Bonds19

About (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone

(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone (PubChem CID 70012807) has the molecular formula C26H36ClO8P and a molecular weight of 542.99 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
PubChem CID70012807
Molecular FormulaC26H36ClO8P
Molecular Weight542.99 g/mol
Exact Mass542.18
IUPAC Name(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
SMILESCCOCCOc1cc(OCCOCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCCOCC)c1
InChIInChI=1S/C26H36ClO8P/c1-5-30-11-14-33-19-17-22(34-15-12-31-6-2)25(23(18-19)35-16-13-32-7-3)36-26(28)24-20(27)9-8-10-21(24)29-4/h8-10,17-18,36H,5-7,11-16H2,1-4H3
InChIKeyVXQMYXXQNGHASK-UHFFFAOYSA-N
XLogP4.74
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.99
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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
lithium;(2-chloro-6-methoxyphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245926
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone
CID 18515183
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515179
lithium (2-chloro-6-methoxyphenyl)-[2,4,6-tris(phenylmethoxy)phenyl]phosphanylmethanone
CID 18515178
(2-chloro-6-methylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514959
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
(2,6-dichloro-4-ethoxyphenyl)-[2-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70014873
lithium;(2-chloro-6-methoxyphenyl)-[2,4,6-tris(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173243351
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone (CID 70012807) is (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone is CCOCCOc1cc(OCCOCC)c(PC(=O)c2c(Cl)cccc2OC)c(OCCOCC)c1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone?
The InChIKey is VXQMYXXQNGHASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36ClO8P/c1-5-30-11-14-33-19-17-22(34-15-12-31-6-2)25(23(18-19)35-16-13-32-7-3)36-26(28)24-20(27)9-8-10-21(24)29-4/h8-10,17-18,36H,5-7,11-16H2,1-4H3.
What are the key properties of (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone?
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone has a molecular weight of 542.99 g/mol, XLogP of 4.74, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 70012807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).