butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate

C14H20O4P- — CID 141022909

IUPACbutan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
SMILESCCC(C)/P=C(\[O-])c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21O4P/c1-6-9(2)19-14(15)13-11(17-4)7-10(16-3)8-12(13)18-5/h7-9,15H,6H2,1-5H3/p-1
InChIKeyMFTMFVYFWPIFQP-UHFFFAOYSA-M
MW283.28 g/mol
LogP2.30
Rot. Bonds6

About butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate

butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate (PubChem CID 141022909) has the molecular formula C14H20O4P- and a molecular weight of 283.28 g/mol. Its IUPAC name is butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate.

Molecular Properties

Compound Namebutan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
PubChem CID141022909
Molecular FormulaC14H20O4P-
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namebutan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate
SMILESCCC(C)/P=C(\[O-])c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H21O4P/c1-6-9(2)19-14(15)13-11(17-4)7-10(16-3)8-12(13)18-5/h7-9,15H,6H2,1-5H3/p-1
InChIKeyMFTMFVYFWPIFQP-UHFFFAOYSA-M
XLogP2.30
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The IUPAC name of butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate (CID 141022909) is butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate.
What is the SMILES notation for butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The canonical SMILES for butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate is CCC(C)/P=C(\[O-])c1c(OC)cc(OC)cc1OC.
What is the InChIKey of butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
The InChIKey is MFTMFVYFWPIFQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H21O4P/c1-6-9(2)19-14(15)13-11(17-4)7-10(16-3)8-12(13)18-5/h7-9,15H,6H2,1-5H3/p-1.
What are the key properties of butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate?
butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate has a molecular weight of 283.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylphosphanylidene-(2,4,6-trimethoxyphenyl)methanolate is sourced from PubChem (CID 141022909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).