(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

C28H41O7P — CID 18514095

IUPAC(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCCOc1cc(OCCCC)c(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCCC)c1
InChIInChI=1S/C28H41O7P/c1-7-10-13-33-21-18-24(34-14-11-8-2)27(25(19-21)35-15-12-9-3)36-28(29)26-22(31-5)16-20(30-4)17-23(26)32-6/h16-19,36H,7-15H2,1-6H3
InChIKeyBRFGUMHBIINHHS-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.39
Rot. Bonds18

About (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone

(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (PubChem CID 18514095) has the molecular formula C28H41O7P and a molecular weight of 520.60 g/mol. Its IUPAC name is (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
PubChem CID18514095
Molecular FormulaC28H41O7P
Molecular Weight520.60 g/mol
Exact Mass520.26
IUPAC Name(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
SMILESCCCCOc1cc(OCCCC)c(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCCC)c1
InChIInChI=1S/C28H41O7P/c1-7-10-13-33-21-18-24(34-14-11-8-2)27(25(19-21)35-15-12-9-3)36-28(29)26-22(31-5)16-20(30-4)17-23(26)32-6/h16-19,36H,7-15H2,1-6H3
InChIKeyBRFGUMHBIINHHS-UHFFFAOYSA-N
XLogP6.39
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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;(2,4-dipropoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone;hydride
CID 173244539
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452
lithium (2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanylmethanone
CID 18514898
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
CID 18514442
(2-chloro-6-methoxyphenyl)-[2,4,6-tris(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70012807
(2,6-dimethoxyphenyl)-(2,4-dipropoxyphenyl)phosphanylmethanone
CID 18514543
(2,4,6-trimethoxyphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 18514236
lithium (4-methoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514847
lithium;hydride;(2,4,6-trimethoxyphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173245955

Frequently Asked Questions

What is the IUPAC name of (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The IUPAC name of (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone (CID 18514095) is (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone.
What is the SMILES notation for (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The canonical SMILES for (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is CCCCOc1cc(OCCCC)c(PC(=O)c2c(OC)cc(OC)cc2OC)c(OCCCC)c1.
What is the InChIKey of (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
The InChIKey is BRFGUMHBIINHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41O7P/c1-7-10-13-33-21-18-24(34-14-11-8-2)27(25(19-21)35-15-12-9-3)36-28(29)26-22(31-5)16-20(30-4)17-23(26)32-6/h16-19,36H,7-15H2,1-6H3.
What are the key properties of (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone?
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone has a molecular weight of 520.60 g/mol, XLogP of 6.39, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone is sourced from PubChem (CID 18514095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).