1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate

C19H19O4P — CID 174514664

IUPAC1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
SMILESCc1ccccc1OP(=O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H9O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)11-12(8,9)10/h1-10H;2-5H,1H3,(H2,8,9,10)
InChIKeyLCSCIJKGGDAZTR-UHFFFAOYSA-N
MW342.33 g/mol
LogP4.82
Rot. Bonds3

About 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate

1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate (PubChem CID 174514664) has the molecular formula C19H19O4P and a molecular weight of 342.33 g/mol. Its IUPAC name is 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
PubChem CID174514664
Molecular FormulaC19H19O4P
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
SMILESCc1ccccc1OP(=O)(O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C7H9O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)11-12(8,9)10/h1-10H;2-5H,1H3,(H2,8,9,10)
InChIKeyLCSCIJKGGDAZTR-UHFFFAOYSA-N
XLogP4.82
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630
methyl-(2-methylphenoxy)phosphinic acid
CID 13143305
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
CID 174515144
CID 174515144
strontium;hydride;tris(2-methylphenyl) phosphate
CID 174594378
bis(2-methylphenyl) phenyl phosphate
CID 14618640
ethoxyethane;(2-phenylphenyl) dihydrogen phosphate
CID 67681230
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[2-[1,1-bis(2-phenylphenyl)ethyl]phenyl] dihydrogen phosphate
CID 68740859
(2-methylphenoxy)-(2,2,2-trifluoroethyl)phosphinic acid
CID 154071432
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate?
The IUPAC name of 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate (CID 174514664) is 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate.
What is the SMILES notation for 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate?
The canonical SMILES for 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate is Cc1ccccc1OP(=O)(O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate?
The InChIKey is LCSCIJKGGDAZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C7H9O4P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-4-2-3-5-7(6)11-12(8,9)10/h1-10H;2-5H,1H3,(H2,8,9,10).
What are the key properties of 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate?
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate has a molecular weight of 342.33 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate is sourced from PubChem (CID 174514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).