bis(2,6-dimethylphenyl) propan-2-yl phosphate

C19H25O4P — CID 160920059

IUPACbis(2,6-dimethylphenyl) propan-2-yl phosphate
SMILESCc1cccc(C)c1OP(=O)(Oc1c(C)cccc1C)OC(C)C
InChIInChI=1S/C19H25O4P/c1-13(2)21-24(20,22-18-14(3)9-7-10-15(18)4)23-19-16(5)11-8-12-17(19)6/h7-13H,1-6H3
InChIKeySRXIUOGOZQTDHW-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.91
Rot. Bonds6

About bis(2,6-dimethylphenyl) propan-2-yl phosphate

bis(2,6-dimethylphenyl) propan-2-yl phosphate (PubChem CID 160920059) has the molecular formula C19H25O4P and a molecular weight of 348.38 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl) propan-2-yl phosphate.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl) propan-2-yl phosphate
PubChem CID160920059
Molecular FormulaC19H25O4P
Molecular Weight348.38 g/mol
Exact Mass348.15
IUPAC Namebis(2,6-dimethylphenyl) propan-2-yl phosphate
SMILESCc1cccc(C)c1OP(=O)(Oc1c(C)cccc1C)OC(C)C
InChIInChI=1S/C19H25O4P/c1-13(2)21-24(20,22-18-14(3)9-7-10-15(18)4)23-19-16(5)11-8-12-17(19)6/h7-13H,1-6H3
InChIKeySRXIUOGOZQTDHW-UHFFFAOYSA-N
XLogP5.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2,6-dimethylphenyl) propan-2-yl phosphate 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 bis(2,6-dimethylphenyl) propan-2-yl phosphate?
The IUPAC name of bis(2,6-dimethylphenyl) propan-2-yl phosphate (CID 160920059) is bis(2,6-dimethylphenyl) propan-2-yl phosphate.
What is the SMILES notation for bis(2,6-dimethylphenyl) propan-2-yl phosphate?
The canonical SMILES for bis(2,6-dimethylphenyl) propan-2-yl phosphate is Cc1cccc(C)c1OP(=O)(Oc1c(C)cccc1C)OC(C)C.
What is the InChIKey of bis(2,6-dimethylphenyl) propan-2-yl phosphate?
The InChIKey is SRXIUOGOZQTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O4P/c1-13(2)21-24(20,22-18-14(3)9-7-10-15(18)4)23-19-16(5)11-8-12-17(19)6/h7-13H,1-6H3.
What are the key properties of bis(2,6-dimethylphenyl) propan-2-yl phosphate?
bis(2,6-dimethylphenyl) propan-2-yl phosphate has a molecular weight of 348.38 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl) propan-2-yl phosphate is sourced from PubChem (CID 160920059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).