bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate

C23H25O4P — CID 66990758

IUPACbis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C23H25O4P/c1-16-12-14-21(15-13-16)25-28(24,26-22-10-6-8-17(2)19(22)4)27-23-11-7-9-18(3)20(23)5/h6-15H,1-5H3
InChIKeyQOOMVGJSRSFWRX-UHFFFAOYSA-N
MW396.42 g/mol
LogP6.87
Rot. Bonds6

About bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate

bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate (PubChem CID 66990758) has the molecular formula C23H25O4P and a molecular weight of 396.42 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
PubChem CID66990758
Molecular FormulaC23H25O4P
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Namebis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
SMILESCc1ccc(OP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C23H25O4P/c1-16-12-14-21(15-13-16)25-28(24,26-22-10-6-8-17(2)19(22)4)27-23-11-7-9-18(3)20(23)5/h6-15H,1-5H3
InChIKeyQOOMVGJSRSFWRX-UHFFFAOYSA-N
XLogP6.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 56.87
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

bis(2,3-dimethylphenyl) (4-propylphenyl) phosphate
CID 141032360
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069
bis(2-methylphenyl) phenyl phosphate
CID 14618640
[4-bis(2,6-dimethylphenoxy)phosphoryloxyphenyl] bis(2,6-dimethylphenyl) phosphate
CID 15789016
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
CID 174887433
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
bis(2,3-dimethylphenyl) propyl phosphate
CID 154093147

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate?
The IUPAC name of bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate (CID 66990758) is bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate.
What is the SMILES notation for bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate?
The canonical SMILES for bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate is Cc1ccc(OP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate?
The InChIKey is QOOMVGJSRSFWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O4P/c1-16-12-14-21(15-13-16)25-28(24,26-22-10-6-8-17(2)19(22)4)27-23-11-7-9-18(3)20(23)5/h6-15H,1-5H3.
What are the key properties of bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate?
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate has a molecular weight of 396.42 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate is sourced from PubChem (CID 66990758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).