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

C13H19O3P — CID 87923708

IUPAC(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
SMILESCCPC(=O)c1c(OC)c(C)cc(C)c1OC
InChIInChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3
InChIKeyIXUDYGQZLGRHEA-UHFFFAOYSA-N
MW254.27 g/mol
LogP3.16
Rot. Bonds5

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

(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone (PubChem CID 87923708) has the molecular formula C13H19O3P and a molecular weight of 254.27 g/mol. Its IUPAC name is (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
PubChem CID87923708
Molecular FormulaC13H19O3P
Molecular Weight254.27 g/mol
Exact Mass254.11
IUPAC Name(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone
SMILESCCPC(=O)c1c(OC)c(C)cc(C)c1OC
InChIInChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3
InChIKeyIXUDYGQZLGRHEA-UHFFFAOYSA-N
XLogP3.16
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 53.16
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

(2,6-dimethoxy-3,5-dimethylphenyl)-phosphanylmethanone
CID 159041821
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)ethanone
CID 84709029
lithium [3-(2,6-dimethoxy-3,5-dimethylphenyl)-3-oxopropyl]phosphanide
CID 141022821
1-(2-bromo-6-methoxy-3,5-dimethylphenyl)-2-(methylamino)ethanone
CID 117460893
CID 158401065
CID 158401065
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
lithium;(2-chloro-6-methylphenyl)-ethylphosphanylmethanone;hydride
CID 174400898
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
1-(2,5-dimethoxy-3,6-dimethylphenyl)-2-(methylamino)ethanone
CID 117347100

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone (CID 87923708) is (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone.
What is the SMILES notation for (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The canonical SMILES for (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone is CCPC(=O)c1c(OC)c(C)cc(C)c1OC.
What is the InChIKey of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
The InChIKey is IXUDYGQZLGRHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O3P/c1-6-17-13(14)10-11(15-4)8(2)7-9(3)12(10)16-5/h7,17H,6H2,1-5H3.
What are the key properties of (2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone?
(2,6-dimethoxy-3,5-dimethylphenyl)-ethylphosphanylmethanone has a molecular weight of 254.27 g/mol, XLogP of 3.16, 5 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)-ethylphosphanylmethanone is sourced from PubChem (CID 87923708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).