methyl (3-methylphenyl) phenyl phosphate

C14H15O4P — CID 21410402

IUPACmethyl (3-methylphenyl) phenyl phosphate
SMILESCOP(=O)(Oc1ccccc1)Oc1cccc(C)c1
InChIInChI=1S/C14H15O4P/c1-12-7-6-10-14(11-12)18-19(15,16-2)17-13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeySHIGGEUONSKLID-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.21
Rot. Bonds5

About methyl (3-methylphenyl) phenyl phosphate

methyl (3-methylphenyl) phenyl phosphate (PubChem CID 21410402) has the molecular formula C14H15O4P and a molecular weight of 278.24 g/mol. Its IUPAC name is methyl (3-methylphenyl) phenyl phosphate.

Molecular Properties

Compound Namemethyl (3-methylphenyl) phenyl phosphate
PubChem CID21410402
Molecular FormulaC14H15O4P
Molecular Weight278.24 g/mol
Exact Mass278.07
IUPAC Namemethyl (3-methylphenyl) phenyl phosphate
SMILESCOP(=O)(Oc1ccccc1)Oc1cccc(C)c1
InChIInChI=1S/C14H15O4P/c1-12-7-6-10-14(11-12)18-19(15,16-2)17-13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeySHIGGEUONSKLID-UHFFFAOYSA-N
XLogP4.21
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.21
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(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
azane;bis(3-methylphenyl) hydrogen phosphate
CID 2843505
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
CID 139980288
(4-bromophenyl) (4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426569
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214

Frequently Asked Questions

What is the IUPAC name of methyl (3-methylphenyl) phenyl phosphate?
The IUPAC name of methyl (3-methylphenyl) phenyl phosphate (CID 21410402) is methyl (3-methylphenyl) phenyl phosphate.
What is the SMILES notation for methyl (3-methylphenyl) phenyl phosphate?
The canonical SMILES for methyl (3-methylphenyl) phenyl phosphate is COP(=O)(Oc1ccccc1)Oc1cccc(C)c1.
What is the InChIKey of methyl (3-methylphenyl) phenyl phosphate?
The InChIKey is SHIGGEUONSKLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P/c1-12-7-6-10-14(11-12)18-19(15,16-2)17-13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of methyl (3-methylphenyl) phenyl phosphate?
methyl (3-methylphenyl) phenyl phosphate has a molecular weight of 278.24 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3-methylphenyl) phenyl phosphate is sourced from PubChem (CID 21410402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).