[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone

C23H31O5P — CID 70013713

IUPAC[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
SMILESCCOCCOP(C(=O)c1c(C)cccc1C)c1ccc(OCC)cc1OCC
InChIInChI=1S/C23H31O5P/c1-6-25-14-15-28-29(23(24)22-17(4)10-9-11-18(22)5)21-13-12-19(26-7-2)16-20(21)27-8-3/h9-13,16H,6-8,14-15H2,1-5H3
InChIKeySVDCBRRBOOHLOF-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.02
Rot. Bonds12

About [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone

[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone (PubChem CID 70013713) has the molecular formula C23H31O5P and a molecular weight of 418.47 g/mol. Its IUPAC name is [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
PubChem CID70013713
Molecular FormulaC23H31O5P
Molecular Weight418.47 g/mol
Exact Mass418.19
IUPAC Name[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone
SMILESCCOCCOP(C(=O)c1c(C)cccc1C)c1ccc(OCC)cc1OCC
InChIInChI=1S/C23H31O5P/c1-6-25-14-15-28-29(23(24)22-17(4)10-9-11-18(22)5)21-13-12-19(26-7-2)16-20(21)27-8-3/h9-13,16H,6-8,14-15H2,1-5H3
InChIKeySVDCBRRBOOHLOF-UHFFFAOYSA-N
XLogP5.02
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2-chloro-6-methylphenyl)-[(2,4-dimethoxyphenyl)-(2-methoxyethoxy)phosphanyl]methanone
CID 70015557
(2,6-dimethylphenyl)-(2,4,6-triethoxyphenyl)phosphanylmethanone
CID 18514742
CID 70015738
CID 70015738
[(2,4-diethoxyphenyl)-(trifluoromethyl)phosphanyl]-phenylmethanone
CID 154304054
CID 70013385
CID 70013385
(2,6-dimethylphenyl)-[4-(2-ethoxyethoxy)phenyl]phosphanylmethanone
CID 70015731
2-ethoxyethyl 2,6-dimethylbenzenecarboperoxoate
CID 173267302
2,4-diethoxybenzoate
CID 6951194
2,4-diethoxybenzamide
CID 17145726
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
3-bis(2,4-diethoxyphenyl)phosphanylpropyl-bis(2,4-diethoxyphenyl)phosphane
CID 19858272
[(2,6-dimethylbenzoyl)-ethylphosphanyl]-(2,6-dimethylphenyl)methanone
CID 134261084

Frequently Asked Questions

What is the IUPAC name of [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone?
The IUPAC name of [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone (CID 70013713) is [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone.
What is the SMILES notation for [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone?
The canonical SMILES for [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone is CCOCCOP(C(=O)c1c(C)cccc1C)c1ccc(OCC)cc1OCC.
What is the InChIKey of [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone?
The InChIKey is SVDCBRRBOOHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31O5P/c1-6-25-14-15-28-29(23(24)22-17(4)10-9-11-18(22)5)21-13-12-19(26-7-2)16-20(21)27-8-3/h9-13,16H,6-8,14-15H2,1-5H3.
What are the key properties of [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone?
[(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone has a molecular weight of 418.47 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-diethoxyphenyl)-(2-ethoxyethoxy)phosphanyl]-(2,6-dimethylphenyl)methanone is sourced from PubChem (CID 70013713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).