2-methylpentyl bis(2-methylphenyl) phosphate

C20H27O4P — CID 154251425

IUPAC2-methylpentyl bis(2-methylphenyl) phosphate
SMILESCCCC(C)COP(=O)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C20H27O4P/c1-5-10-16(2)15-22-25(21,23-19-13-8-6-11-17(19)3)24-20-14-9-7-12-18(20)4/h6-9,11-14,16H,5,10,15H2,1-4H3
InChIKeyWEADQECVYDTYPF-UHFFFAOYSA-N
MW362.41 g/mol
LogP6.32
Rot. Bonds9

About 2-methylpentyl bis(2-methylphenyl) phosphate

2-methylpentyl bis(2-methylphenyl) phosphate (PubChem CID 154251425) has the molecular formula C20H27O4P and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-methylpentyl bis(2-methylphenyl) phosphate.

Molecular Properties

Compound Name2-methylpentyl bis(2-methylphenyl) phosphate
PubChem CID154251425
Molecular FormulaC20H27O4P
Molecular Weight362.41 g/mol
Exact Mass362.16
IUPAC Name2-methylpentyl bis(2-methylphenyl) phosphate
SMILESCCCC(C)COP(=O)(Oc1ccccc1C)Oc1ccccc1C
InChIInChI=1S/C20H27O4P/c1-5-10-16(2)15-22-25(21,23-19-13-8-6-11-17(19)3)24-20-14-9-7-12-18(20)4/h6-9,11-14,16H,5,10,15H2,1-4H3
InChIKeyWEADQECVYDTYPF-UHFFFAOYSA-N
XLogP6.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
1-[butyl(2-methylpropoxy)phosphoryl]oxy-2-methylbenzene
CID 6425174
2,2-bis(hydroxymethyl)propane-1,3-diol;tris(2-methylphenyl) phosphate
CID 174787830
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
bis(2,3-dimethylphenyl) propyl phosphate
CID 154093147
1-[butyl(4-methylpentoxy)phosphoryl]oxy-2-methylbenzene
CID 6425178
bis(2-methylphenyl) nonoxy phosphate
CID 175883940
bis(2-methylphenyl) phenyl phosphate
CID 14618640
2-methyl-1-[methyl(2-methylpentoxy)phosphoryl]oxypentane
CID 566127
octanoic acid;tris(2-methylphenyl) phosphate
CID 174964578
(2-methylphenyl) 2-methylpentanoate
CID 68905872

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl bis(2-methylphenyl) phosphate?
The IUPAC name of 2-methylpentyl bis(2-methylphenyl) phosphate (CID 154251425) is 2-methylpentyl bis(2-methylphenyl) phosphate.
What is the SMILES notation for 2-methylpentyl bis(2-methylphenyl) phosphate?
The canonical SMILES for 2-methylpentyl bis(2-methylphenyl) phosphate is CCCC(C)COP(=O)(Oc1ccccc1C)Oc1ccccc1C.
What is the InChIKey of 2-methylpentyl bis(2-methylphenyl) phosphate?
The InChIKey is WEADQECVYDTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O4P/c1-5-10-16(2)15-22-25(21,23-19-13-8-6-11-17(19)3)24-20-14-9-7-12-18(20)4/h6-9,11-14,16H,5,10,15H2,1-4H3.
What are the key properties of 2-methylpentyl bis(2-methylphenyl) phosphate?
2-methylpentyl bis(2-methylphenyl) phosphate has a molecular weight of 362.41 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl bis(2-methylphenyl) phosphate is sourced from PubChem (CID 154251425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).