(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone

C29H43O4P — CID 18515217

IUPAC(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1
InChIInChI=1S/C29H43O4P/c1-11-19(6)31-24-15-25(32-20(7)12-2)28(26(16-24)33-21(8)13-3)34-29(30)27-18(5)14-17(4)22(9)23(27)10/h14-16,19-21,34H,11-13H2,1-10H3
InChIKeyIQWZUEGBNMJRPW-UHFFFAOYSA-N
MW486.63 g/mol
LogP7.60
Rot. Bonds12

About (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone

(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone (PubChem CID 18515217) has the molecular formula C29H43O4P and a molecular weight of 486.63 g/mol. Its IUPAC name is (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
PubChem CID18515217
Molecular FormulaC29H43O4P
Molecular Weight486.63 g/mol
Exact Mass486.29
IUPAC Name(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
SMILESCCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1
InChIInChI=1S/C29H43O4P/c1-11-19(6)31-24-15-25(32-20(7)12-2)28(26(16-24)33-21(8)13-3)34-29(30)27-18(5)14-17(4)22(9)23(27)10/h14-16,19-21,34H,11-13H2,1-10H3
InChIKeyIQWZUEGBNMJRPW-UHFFFAOYSA-N
XLogP7.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.63
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]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

lithium;(2,6-dimethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173244432
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone;hydride
CID 173245454
(2-chloro-6-methoxyphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone
CID 22460050
lithium (2,3,4,6-tetramethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514443
lithium [2,4-di(butan-2-yloxy)phenyl]-(2,3,4,6-tetramethylbenzoyl)phosphanide
CID 141015930
CID 70016722
CID 70016722
lithium (4-tert-butyl-2,6-dimethylphenyl)-[2,4,6-tris(1-methoxyethoxy)phenyl]phosphanylmethanone
CID 22460046
(4-butan-2-yloxy-2-methylphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18514325
lithium;hydride;(2,3,4,6-tetramethylphenyl)-(2,4,6-trimethylphenyl)phosphanylmethanone
CID 173243893
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750

Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The IUPAC name of (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone (CID 18515217) is (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone.
What is the SMILES notation for (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The canonical SMILES for (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone is CCC(C)Oc1cc(OC(C)CC)c(PC(=O)c2c(C)cc(C)c(C)c2C)c(OC(C)CC)c1.
What is the InChIKey of (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
The InChIKey is IQWZUEGBNMJRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43O4P/c1-11-19(6)31-24-15-25(32-20(7)12-2)28(26(16-24)33-21(8)13-3)34-29(30)27-18(5)14-17(4)22(9)23(27)10/h14-16,19-21,34H,11-13H2,1-10H3.
What are the key properties of (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone?
(2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone has a molecular weight of 486.63 g/mol, XLogP of 7.60, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetramethylphenyl)-[2,4,6-tri(butan-2-yloxy)phenyl]phosphanylmethanone is sourced from PubChem (CID 18515217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).