(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone

C28H41O4P — CID 18514442

IUPAC(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
SMILESCCCOc1cc(OCCC)c(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCC)c1
InChIInChI=1S/C28H41O4P/c1-9-12-30-22-17-23(31-13-10-2)26(24(18-22)32-14-11-3)33-27(29)25-19(4)15-21(16-20(25)5)28(6,7)8/h15-18,33H,9-14H2,1-8H3
InChIKeyYJMXUCWEKZJXSF-UHFFFAOYSA-N
MW472.61 g/mol
LogP7.11
Rot. Bonds12

About (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone

(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone (PubChem CID 18514442) has the molecular formula C28H41O4P and a molecular weight of 472.61 g/mol. Its IUPAC name is (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
PubChem CID18514442
Molecular FormulaC28H41O4P
Molecular Weight472.61 g/mol
Exact Mass472.27
IUPAC Name(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone
SMILESCCCOc1cc(OCCC)c(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCC)c1
InChIInChI=1S/C28H41O4P/c1-9-12-30-22-17-23(31-13-10-2)26(24(18-22)32-14-11-3)33-27(29)25-19(4)15-21(16-20(25)5)28(6,7)8/h15-18,33H,9-14H2,1-8H3
InChIKeyYJMXUCWEKZJXSF-UHFFFAOYSA-N
XLogP7.11
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone 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

(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 18513888
lithium;(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-trihexoxyphenyl)phosphanylmethanone;hydride
CID 173245452
CID 70016889
CID 70016889
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
[2,4-bis(2-methoxyethoxy)phenyl]phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone
CID 70015718
lithium;(2,6-dimethylphenyl)-[2,4,6-tris(2-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244643
CID 70014164
CID 70014164
(2,4,6-tributoxyphenyl)phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514095
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone?
The IUPAC name of (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone (CID 18514442) is (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone.
What is the SMILES notation for (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone?
The canonical SMILES for (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone is CCCOc1cc(OCCC)c(PC(=O)c2c(C)cc(C(C)(C)C)cc2C)c(OCCC)c1.
What is the InChIKey of (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone?
The InChIKey is YJMXUCWEKZJXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41O4P/c1-9-12-30-22-17-23(31-13-10-2)26(24(18-22)32-14-11-3)33-27(29)25-19(4)15-21(16-20(25)5)28(6,7)8/h15-18,33H,9-14H2,1-8H3.
What are the key properties of (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone?
(4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone has a molecular weight of 472.61 g/mol, XLogP of 7.11, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2,6-dimethylphenyl)-(2,4,6-tripropoxyphenyl)phosphanylmethanone is sourced from PubChem (CID 18514442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).