azane;bis(3-methylphenyl) hydrogen phosphate

C14H18NO4P — CID 2843505

IUPACazane;bis(3-methylphenyl) hydrogen phosphate
SMILESCc1cccc(OP(=O)(O)Oc2cccc(C)c2)c1.N
InChIInChI=1S/C14H15O4P.H3N/c1-11-5-3-7-13(9-11)17-19(15,16)18-14-8-4-6-12(2)10-14;/h3-10H,1-2H3,(H,15,16);1H3
InChIKeyVLGUXUHOSVCLNO-UHFFFAOYSA-N
MW295.28 g/mol
LogP4.02
Rot. Bonds4

About azane;bis(3-methylphenyl) hydrogen phosphate

azane;bis(3-methylphenyl) hydrogen phosphate (PubChem CID 2843505) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is azane;bis(3-methylphenyl) hydrogen phosphate.

Molecular Properties

Compound Nameazane;bis(3-methylphenyl) hydrogen phosphate
PubChem CID2843505
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Nameazane;bis(3-methylphenyl) hydrogen phosphate
SMILESCc1cccc(OP(=O)(O)Oc2cccc(C)c2)c1.N
InChIInChI=1S/C14H15O4P.H3N/c1-11-5-3-7-13(9-11)17-19(15,16)18-14-8-4-6-12(2)10-14;/h3-10H,1-2H3,(H,15,16);1H3
InChIKeyVLGUXUHOSVCLNO-UHFFFAOYSA-N
XLogP4.02
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethoxy (3-methylphenyl) hydrogen phosphate
CID 172816052
1-dimethylphosphoryloxy-3-methylbenzene
CID 23081729
hydroxy-methyl-(3-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 21154482
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
1-bis(3-methylphenoxy)phosphorylpropan-2-one
CID 176899412
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
[3-[(2,3-diethylphenoxy)-hydroxyphosphoryl]oxyphenyl] (2,3-diethylphenyl) hydrogen phosphate
CID 21263253
diphenyl hydrogen phosphate;silane
CID 175425543
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431

Frequently Asked Questions

What is the IUPAC name of azane;bis(3-methylphenyl) hydrogen phosphate?
The IUPAC name of azane;bis(3-methylphenyl) hydrogen phosphate (CID 2843505) is azane;bis(3-methylphenyl) hydrogen phosphate.
What is the SMILES notation for azane;bis(3-methylphenyl) hydrogen phosphate?
The canonical SMILES for azane;bis(3-methylphenyl) hydrogen phosphate is Cc1cccc(OP(=O)(O)Oc2cccc(C)c2)c1.N.
What is the InChIKey of azane;bis(3-methylphenyl) hydrogen phosphate?
The InChIKey is VLGUXUHOSVCLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P.H3N/c1-11-5-3-7-13(9-11)17-19(15,16)18-14-8-4-6-12(2)10-14;/h3-10H,1-2H3,(H,15,16);1H3.
What are the key properties of azane;bis(3-methylphenyl) hydrogen phosphate?
azane;bis(3-methylphenyl) hydrogen phosphate has a molecular weight of 295.28 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(3-methylphenyl) hydrogen phosphate is sourced from PubChem (CID 2843505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).