[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate

C19H17O4P — CID 140973737

IUPAC[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
SMILESCc1ccccc1-c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C19H17O4P/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23-24(20,21)22-17-8-3-2-4-9-17/h2-14H,1H3,(H,20,21)
InChIKeyWJTWHMSFLVSZFX-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.22
Rot. Bonds5

About [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate

[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate (PubChem CID 140973737) has the molecular formula C19H17O4P and a molecular weight of 340.32 g/mol. Its IUPAC name is [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
PubChem CID140973737
Molecular FormulaC19H17O4P
Molecular Weight340.32 g/mol
Exact Mass340.09
IUPAC Name[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate
SMILESCc1ccccc1-c1ccc(OP(=O)(O)Oc2ccccc2)cc1
InChIInChI=1S/C19H17O4P/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23-24(20,21)22-17-8-3-2-4-9-17/h2-14H,1H3,(H,20,21)
InChIKeyWJTWHMSFLVSZFX-UHFFFAOYSA-N
XLogP5.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-methylphenyl)phenyl] dihydrogen phosphate
CID 141033820
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
phenyl (2-phenylphenyl) hydrogen phosphate
CID 21401890
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845
diphenyl hydrogen phosphate;silane
CID 175425543
diiminoazanium;diphenyl hydrogen phosphate;toluene
CID 174944323
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
chloroform;diphenyl hydrogen phosphate
CID 174899919
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate?
The IUPAC name of [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate (CID 140973737) is [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate.
What is the SMILES notation for [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate?
The canonical SMILES for [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate is Cc1ccccc1-c1ccc(OP(=O)(O)Oc2ccccc2)cc1.
What is the InChIKey of [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate?
The InChIKey is WJTWHMSFLVSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17O4P/c1-15-7-5-6-10-19(15)16-11-13-18(14-12-16)23-24(20,21)22-17-8-3-2-4-9-17/h2-14H,1H3,(H,20,21).
What are the key properties of [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate?
[4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate has a molecular weight of 340.32 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)phenyl] phenyl hydrogen phosphate is sourced from PubChem (CID 140973737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).