(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

C25H35O3P — CID 18513750

IUPAC(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCCCC)c1
InChIInChI=1S/C25H35O3P/c1-7-9-13-27-21-11-12-23(22(16-21)28-14-10-8-2)29-25(26)24-18(4)15-17(3)19(5)20(24)6/h11-12,15-16,29H,7-10,13-14H2,1-6H3
InChIKeyILMCUFLERQKZEL-UHFFFAOYSA-N
MW414.53 g/mol
LogP6.42
Rot. Bonds11

About (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone

(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18513750) has the molecular formula C25H35O3P and a molecular weight of 414.53 g/mol. Its IUPAC name is (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18513750
Molecular FormulaC25H35O3P
Molecular Weight414.53 g/mol
Exact Mass414.23
IUPAC Name(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
SMILESCCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCCCC)c1
InChIInChI=1S/C25H35O3P/c1-7-9-13-27-21-11-12-23(22(16-21)28-14-10-8-2)29-25(26)24-18(4)15-17(3)19(5)20(24)6/h11-12,15-16,29H,7-10,13-14H2,1-6H3
InChIKeyILMCUFLERQKZEL-UHFFFAOYSA-N
XLogP6.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone 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 (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
lithium;(4-hexoxy-2-methylphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244590
lithium;(2,4-diethoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173245324
lithium;[2,4-bis(2-ethylhexoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173243207
lithium;(4-butoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone;hydride
CID 173244822
lithium [2,4-bis(phenylmethoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514044
lithium;hydride;[4-(2-methoxyethoxy)-2-methylphenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 173245078
lithium (4-hexoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18514332
(2,6-dichlorophenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone
CID 18513831
(2,4-dihexoxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone
CID 18513985
lithium [2-methyl-4-(3-methylbutoxy)phenyl]phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18515180
lithium;(2-chloro-6-methylphenyl)-(2,4-dipentoxyphenyl)phosphanylmethanone;hydride
CID 173243886

Frequently Asked Questions

What is the IUPAC name of (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone (CID 18513750) is (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is CCCCOc1ccc(PC(=O)c2c(C)cc(C)c(C)c2C)c(OCCCC)c1.
What is the InChIKey of (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is ILMCUFLERQKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35O3P/c1-7-9-13-27-21-11-12-23(22(16-21)28-14-10-8-2)29-25(26)24-18(4)15-17(3)19(5)20(24)6/h11-12,15-16,29H,7-10,13-14H2,1-6H3.
What are the key properties of (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone?
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 414.53 g/mol, XLogP of 6.42, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18513750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).