(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone

C11H15O3P — CID 159041821

IUPAC(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
SMILESCOc1c(C)cc(C)c(OC)c1C(=O)P
InChIInChI=1S/C11H15O3P/c1-6-5-7(2)10(14-4)8(11(12)15)9(6)13-3/h5H,15H2,1-4H3
InChIKeyPQYIXXMVAGTARC-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.34
Rot. Bonds3

About (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone

(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone (PubChem CID 159041821) has the molecular formula C11H15O3P and a molecular weight of 226.21 g/mol. Its IUPAC name is (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
PubChem CID159041821
Molecular FormulaC11H15O3P
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
SMILESCOc1c(C)cc(C)c(OC)c1C(=O)P
InChIInChI=1S/C11H15O3P/c1-6-5-7(2)10(14-4)8(11(12)15)9(6)13-3/h5H,15H2,1-4H3
InChIKeyPQYIXXMVAGTARC-UHFFFAOYSA-N
XLogP2.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
CID 87923708
lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide
CID 141022821
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117358565
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
[2-(2,6-dimethoxy-3,5-dimethylbenzoyl)phenyl]-(2,4,6-trimethoxyphenyl)methanone
CID 141015987
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
2-amino-1-(2-fluoro-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 84790194
methyl 5-bromo-2-methoxy-3,6-dimethylbenzoate
CID 50883037
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
2-methoxy-3,4,6-trimethylbenzoyl chloride
CID 116924656

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone?
The IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone (CID 159041821) is (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone.
What is the SMILES notation for (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone?
The canonical SMILES for (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone is COc1c(C)cc(C)c(OC)c1C(=O)P.
What is the InChIKey of (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone?
The InChIKey is PQYIXXMVAGTARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O3P/c1-6-5-7(2)10(14-4)8(11(12)15)9(6)13-3/h5H,15H2,1-4H3.
What are the key properties of (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone?
(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone has a molecular weight of 226.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone is sourced from PubChem (CID 159041821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).