(2,3-dimethylphenyl) phenyl phosphate

C14H14O4P- — CID 21201140

IUPAC(2,3-dimethylphenyl) phenyl phosphate
SMILESCc1cccc(OP(=O)([O-])Oc2ccccc2)c1C
InChIInChI=1S/C14H15O4P/c1-11-7-6-10-14(12(11)2)18-19(15,16)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,15,16)/p-1
InChIKeyVUFLYQCAPHNLBQ-UHFFFAOYSA-M
MW277.24 g/mol
LogP3.23
Rot. Bonds4

About (2,3-dimethylphenyl) phenyl phosphate

(2,3-dimethylphenyl) phenyl phosphate (PubChem CID 21201140) has the molecular formula C14H14O4P- and a molecular weight of 277.24 g/mol. Its IUPAC name is (2,3-dimethylphenyl) phenyl phosphate.

Molecular Properties

Compound Name(2,3-dimethylphenyl) phenyl phosphate
PubChem CID21201140
Molecular FormulaC14H14O4P-
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Name(2,3-dimethylphenyl) phenyl phosphate
SMILESCc1cccc(OP(=O)([O-])Oc2ccccc2)c1C
InChIInChI=1S/C14H15O4P/c1-11-7-6-10-14(12(11)2)18-19(15,16)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,15,16)/p-1
InChIKeyVUFLYQCAPHNLBQ-UHFFFAOYSA-M
XLogP3.23
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 53.23
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

(2,3-dihydroxyphenyl) phenyl phosphate
CID 22456918
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
phenyl (2-phenylphenyl) phosphate
CID 22709121
(2-butylphenyl) phenyl phosphate
CID 18924623
bis(2,3-dimethylphenyl) (4-methylphenyl) phosphate
CID 66990758
bis(2-methylphenyl) phenyl phosphate
CID 14618640
(4-chlorophenyl) phenyl phosphate
CID 71363636
diphenoxyphosphoryl formate;1,2,3-trimethylbenzene
CID 175280150
tetrasodium phenyl phosphate
CID 172856118
disodium;phenyl phosphate
CID 2724225
bis(2,3-dimethylphenyl) (4-propylphenyl) phosphate
CID 141032360

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl) phenyl phosphate?
The IUPAC name of (2,3-dimethylphenyl) phenyl phosphate (CID 21201140) is (2,3-dimethylphenyl) phenyl phosphate.
What is the SMILES notation for (2,3-dimethylphenyl) phenyl phosphate?
The canonical SMILES for (2,3-dimethylphenyl) phenyl phosphate is Cc1cccc(OP(=O)([O-])Oc2ccccc2)c1C.
What is the InChIKey of (2,3-dimethylphenyl) phenyl phosphate?
The InChIKey is VUFLYQCAPHNLBQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15O4P/c1-11-7-6-10-14(12(11)2)18-19(15,16)17-13-8-4-3-5-9-13/h3-10H,1-2H3,(H,15,16)/p-1.
What are the key properties of (2,3-dimethylphenyl) phenyl phosphate?
(2,3-dimethylphenyl) phenyl phosphate has a molecular weight of 277.24 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl) phenyl phosphate is sourced from PubChem (CID 21201140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).