(4-phenylphenyl) dihydrogen phosphate;hydrate

C12H13O5P — CID 174536895

IUPAC(4-phenylphenyl) dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O4P.H2O/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H2,13,14,15);1H2
InChIKeyIROWOZKLSZLPEO-UHFFFAOYSA-N
MW268.21 g/mol
LogP2.00
Rot. Bonds3

About (4-phenylphenyl) dihydrogen phosphate;hydrate

(4-phenylphenyl) dihydrogen phosphate;hydrate (PubChem CID 174536895) has the molecular formula C12H13O5P and a molecular weight of 268.21 g/mol. Its IUPAC name is (4-phenylphenyl) dihydrogen phosphate;hydrate.

Molecular Properties

Compound Name(4-phenylphenyl) dihydrogen phosphate;hydrate
PubChem CID174536895
Molecular FormulaC12H13O5P
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name(4-phenylphenyl) dihydrogen phosphate;hydrate
SMILESO.O=P(O)(O)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O4P.H2O/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H2,13,14,15);1H2
InChIKeyIROWOZKLSZLPEO-UHFFFAOYSA-N
XLogP2.00
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 52.00
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

CID 131875092
CID 131875092
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
hydroxy phenyl (4-phenylphenyl) phosphate
CID 139950736
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
[4-(2-methylphenyl)phenyl] dihydrogen phosphate
CID 141033820
diphenyl hydrogen phosphate;dihydrate
CID 21115845
[4-(4-hydroxy-2,3,5,6-tetraphenylphenyl)phenyl] phosphono hydrogen phosphate
CID 87386590
[4-[4-[4-(2-methylpropanoyl)phenyl]phenyl]phenyl] dihydrogen phosphate
CID 176799738
1,1'-biphenyl;(2-methylphenyl) dihydrogen phosphate
CID 174514664

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) dihydrogen phosphate;hydrate?
The IUPAC name of (4-phenylphenyl) dihydrogen phosphate;hydrate (CID 174536895) is (4-phenylphenyl) dihydrogen phosphate;hydrate.
What is the SMILES notation for (4-phenylphenyl) dihydrogen phosphate;hydrate?
The canonical SMILES for (4-phenylphenyl) dihydrogen phosphate;hydrate is O.O=P(O)(O)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl) dihydrogen phosphate;hydrate?
The InChIKey is IROWOZKLSZLPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.H2O/c13-17(14,15)16-12-8-6-11(7-9-12)10-4-2-1-3-5-10;/h1-9H,(H2,13,14,15);1H2.
What are the key properties of (4-phenylphenyl) dihydrogen phosphate;hydrate?
(4-phenylphenyl) dihydrogen phosphate;hydrate has a molecular weight of 268.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) dihydrogen phosphate;hydrate is sourced from PubChem (CID 174536895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).