2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone

C19H23O3P — CID 141016120

IUPAC2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)POCCOCc2ccccc2)c(C)c1
InChIInChI=1S/C19H23O3P/c1-14-11-15(2)18(16(3)12-14)19(20)23-22-10-9-21-13-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13H2,1-3H3
InChIKeyXIARKZUHPKMBFK-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.58
Rot. Bonds8

About 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone

2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 141016120) has the molecular formula C19H23O3P and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID141016120
Molecular FormulaC19H23O3P
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)POCCOCc2ccccc2)c(C)c1
InChIInChI=1S/C19H23O3P/c1-14-11-15(2)18(16(3)12-14)19(20)23-22-10-9-21-13-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13H2,1-3H3
InChIKeyXIARKZUHPKMBFK-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.58
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'}

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Related Compounds

3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
CID 142735482
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
1-(4-bromo-2,6-dimethylphenyl)-2-phenylmethoxyethanone
CID 146011151
acetic acid;phenylmethoxymethylbenzene
CID 175214238
benzyl [(2,4,6-trimethylbenzoyl)-bis(trimethylsilyl)silyl]formate
CID 100937357
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
3,3-dimethyl-2-(2-phenylmethoxyethoxy)butanoic acid
CID 67216614
4-methylbenzenesulfonic acid;2-(2-phenylmethoxyethoxy)ethanol
CID 86136582
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
2-(2-methoxyethoxy)ethanol;2-phenylmethoxyethanol
CID 138692115

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone (CID 141016120) is 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)POCCOCc2ccccc2)c(C)c1.
What is the InChIKey of 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is XIARKZUHPKMBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23O3P/c1-14-11-15(2)18(16(3)12-14)19(20)23-22-10-9-21-13-17-7-5-4-6-8-17/h4-8,11-12,23H,9-10,13H2,1-3H3.
What are the key properties of 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone?
2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 330.36 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyethoxyphosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 141016120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).