bis(2,3-dimethylphenyl) propyl phosphate

C19H25O4P — CID 154093147

IUPACbis(2,3-dimethylphenyl) propyl phosphate
SMILESCCCOP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C
InChIInChI=1S/C19H25O4P/c1-6-13-21-24(20,22-18-11-7-9-14(2)16(18)4)23-19-12-8-10-15(3)17(19)5/h7-12H,6,13H2,1-5H3
InChIKeyMPKKSPWNXQQPKB-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.91
Rot. Bonds7

About bis(2,3-dimethylphenyl) propyl phosphate

bis(2,3-dimethylphenyl) propyl phosphate (PubChem CID 154093147) has the molecular formula C19H25O4P and a molecular weight of 348.38 g/mol. Its IUPAC name is bis(2,3-dimethylphenyl) propyl phosphate.

Molecular Properties

Compound Namebis(2,3-dimethylphenyl) propyl phosphate
PubChem CID154093147
Molecular FormulaC19H25O4P
Molecular Weight348.38 g/mol
Exact Mass348.15
IUPAC Namebis(2,3-dimethylphenyl) propyl phosphate
SMILESCCCOP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C
InChIInChI=1S/C19H25O4P/c1-6-13-21-24(20,22-18-11-7-9-14(2)16(18)4)23-19-12-8-10-15(3)17(19)5/h7-12H,6,13H2,1-5H3
InChIKeyMPKKSPWNXQQPKB-UHFFFAOYSA-N
XLogP5.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Related Compounds

bis(2,3-dimethylphenyl) (4-propylphenyl) phosphate
CID 141032360
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
CID 66990758
2-methylpentyl bis(2-methylphenyl) phosphate
CID 154251425
2-chloroethoxy-bis(2,3-dimethylphenoxy)-sulfanylidene-lambda5-phosphane
CID 10916000
(6-butyl-2,3-dimethylphenyl) (2,3-dimethylphenyl) hydrogen phosphate
CID 141256285
CID 174515144
CID 174515144
bis(2-methylphenyl) nonoxy phosphate
CID 175883940
(2,3-dimethylphenyl) phenyl phosphate
CID 21201140
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
N-bis(2,3-dimethylphenoxy)phosphoryl-3-ethoxyaniline
CID 2313141
(2-butylphenyl) octyl phenyl phosphate
CID 70581057
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylphenyl) propyl phosphate?
The IUPAC name of bis(2,3-dimethylphenyl) propyl phosphate (CID 154093147) is bis(2,3-dimethylphenyl) propyl phosphate.
What is the SMILES notation for bis(2,3-dimethylphenyl) propyl phosphate?
The canonical SMILES for bis(2,3-dimethylphenyl) propyl phosphate is CCCOP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C.
What is the InChIKey of bis(2,3-dimethylphenyl) propyl phosphate?
The InChIKey is MPKKSPWNXQQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25O4P/c1-6-13-21-24(20,22-18-11-7-9-14(2)16(18)4)23-19-12-8-10-15(3)17(19)5/h7-12H,6,13H2,1-5H3.
What are the key properties of bis(2,3-dimethylphenyl) propyl phosphate?
bis(2,3-dimethylphenyl) propyl phosphate has a molecular weight of 348.38 g/mol, XLogP of 5.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylphenyl) propyl phosphate is sourced from PubChem (CID 154093147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).