bis(4-methylphenyl) 2-methylpropyl phosphate

C18H23O4P — CID 172710371

IUPACbis(4-methylphenyl) 2-methylpropyl phosphate
SMILESCc1ccc(OP(=O)(OCC(C)C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23O4P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3
InChIKeyFDYXBOWJSZKTJB-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.54
Rot. Bonds7

About bis(4-methylphenyl) 2-methylpropyl phosphate

bis(4-methylphenyl) 2-methylpropyl phosphate (PubChem CID 172710371) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is bis(4-methylphenyl) 2-methylpropyl phosphate.

Molecular Properties

Compound Namebis(4-methylphenyl) 2-methylpropyl phosphate
PubChem CID172710371
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Namebis(4-methylphenyl) 2-methylpropyl phosphate
SMILESCc1ccc(OP(=O)(OCC(C)C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23O4P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3
InChIKeyFDYXBOWJSZKTJB-UHFFFAOYSA-N
XLogP5.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.54
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

(4-methylphenyl) 2-methylpropyl hydrogen phosphate
CID 175181889
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
8-bis(4-methylphenoxy)phosphoryloxyoctyl bis(4-methylphenyl) phosphate
CID 118862448
CID 67928069
CID 67928069
alumane;tris(4-methylphenyl) phosphate
CID 174515145
potassium;tris(4-methylphenyl) phosphate;hydroxide
CID 174496858
bis(2-methylpropyl) [4-(2,4,4-trimethylpentan-2-yl)phenyl] phosphate
CID 154167603
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
(4-methylphenyl) phosphono 2,5,5-trimethylhexyl phosphate
CID 57166035
prop-1-ene;tris(4-methylphenyl) phosphate
CID 174447332

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl) 2-methylpropyl phosphate?
The IUPAC name of bis(4-methylphenyl) 2-methylpropyl phosphate (CID 172710371) is bis(4-methylphenyl) 2-methylpropyl phosphate.
What is the SMILES notation for bis(4-methylphenyl) 2-methylpropyl phosphate?
The canonical SMILES for bis(4-methylphenyl) 2-methylpropyl phosphate is Cc1ccc(OP(=O)(OCC(C)C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-methylphenyl) 2-methylpropyl phosphate?
The InChIKey is FDYXBOWJSZKTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3.
What are the key properties of bis(4-methylphenyl) 2-methylpropyl phosphate?
bis(4-methylphenyl) 2-methylpropyl phosphate has a molecular weight of 334.35 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl) 2-methylpropyl phosphate is sourced from PubChem (CID 172710371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).