(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate

C15H22O3P- — CID 141023128

IUPAC(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate
SMILESCOc1c(C)cc(C)c(OC)c1/C([O-])=P/CC(C)C
InChIInChI=1S/C15H23O3P/c1-9(2)8-19-15(16)12-13(17-5)10(3)7-11(4)14(12)18-6/h7,9,16H,8H2,1-6H3/p-1
InChIKeyGBINBHDCJIQRLD-UHFFFAOYSA-M
MW281.31 g/mol
LogP2.76
Rot. Bonds5

About (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate

(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate (PubChem CID 141023128) has the molecular formula C15H22O3P- and a molecular weight of 281.31 g/mol. Its IUPAC name is (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate.

Molecular Properties

Compound Name(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate
PubChem CID141023128
Molecular FormulaC15H22O3P-
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate
SMILESCOc1c(C)cc(C)c(OC)c1/C([O-])=P/CC(C)C
InChIInChI=1S/C15H23O3P/c1-9(2)8-19-15(16)12-13(17-5)10(3)7-11(4)14(12)18-6/h7,9,16H,8H2,1-6H3/p-1
InChIKeyGBINBHDCJIQRLD-UHFFFAOYSA-M
XLogP2.76
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate?
The IUPAC name of (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate (CID 141023128) is (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate.
What is the SMILES notation for (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate?
The canonical SMILES for (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate is COc1c(C)cc(C)c(OC)c1/C([O-])=P/CC(C)C.
What is the InChIKey of (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate?
The InChIKey is GBINBHDCJIQRLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23O3P/c1-9(2)8-19-15(16)12-13(17-5)10(3)7-11(4)14(12)18-6/h7,9,16H,8H2,1-6H3/p-1.
What are the key properties of (2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate?
(2,6-dimethoxy-3,5-dimethylphenyl)-(2-methylpropylphosphanylidene)methanolate has a molecular weight of 281.31 g/mol, XLogP of 2.76, 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)-(2-methylpropylphosphanylidene)methanolate is sourced from PubChem (CID 141023128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).