[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C34H43O6P — CID 159387722

IUPAC[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCCCOc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1
InChIInChI=1S/C34H43O6P/c1-9-11-15-38-28-13-14-29(30(21-28)39-16-12-10-2)40-41(37,33(35)31-24(5)17-22(3)18-25(31)6)34(36)32-26(7)19-23(4)20-27(32)8/h13-14,17-21H,9-12,15-16H2,1-8H3
InChIKeyLLSFNYTVHONUCL-UHFFFAOYSA-N
MW578.69 g/mol
LogP9.23
Rot. Bonds14

About [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 159387722) has the molecular formula C34H43O6P and a molecular weight of 578.69 g/mol. Its IUPAC name is [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID159387722
Molecular FormulaC34H43O6P
Molecular Weight578.69 g/mol
Exact Mass578.28
IUPAC Name[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCCCOc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1
InChIInChI=1S/C34H43O6P/c1-9-11-15-38-28-13-14-29(30(21-28)39-16-12-10-2)40-41(37,33(35)31-24(5)17-22(3)18-25(31)6)34(36)32-26(7)19-23(4)20-27(32)8/h13-14,17-21H,9-12,15-16H2,1-8H3
InChIKeyLLSFNYTVHONUCL-UHFFFAOYSA-N
XLogP9.23
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.69
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
(2,4-dipentoxyphenyl)-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 66605933
(2,4-dipentoxyphenyl)-oxophosphanium;bis(2,4,6-trimethylbenzohydrazide)
CID 158989096
2-[[(2,4-dibutoxyphenyl)-[phenyl-(2,4,6-trimethylphenyl)methyl]phosphoryl]-phenylmethyl]-1,3,5-trimethylbenzene
CID 150223041
[(2,6-dimethoxybenzoyl)-(2,4-dioctoxyphenyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 22717592
lithium;hydride;(2,4,6-trimethylphenyl)-(2,4,6-tripentoxyphenyl)phosphanylmethanone
CID 173244414
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541
(2,4-dibutoxyphenyl)phosphanyl-(2,3,4,6-tetramethylphenyl)methanone
CID 18513750
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
lithium (2,6-dimethylbenzoyl)-(2,4-dipentoxyphenyl)phosphanide
CID 141015912
4-decoxy-2-hexoxybenzoic acid
CID 141156533
ethyl 4-decoxy-2-hexoxybenzoate
CID 141156518

Frequently Asked Questions

What is the IUPAC name of [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 159387722) is [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CCCCOc1ccc(OP(=O)(C(=O)c2c(C)cc(C)cc2C)C(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.
What is the InChIKey of [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is LLSFNYTVHONUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43O6P/c1-9-11-15-38-28-13-14-29(30(21-28)39-16-12-10-2)40-41(37,33(35)31-24(5)17-22(3)18-25(31)6)34(36)32-26(7)19-23(4)20-27(32)8/h13-14,17-21H,9-12,15-16H2,1-8H3.
What are the key properties of [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 578.69 g/mol, XLogP of 9.23, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dibutoxyphenoxy)-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 159387722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).