hydroxy phenyl (4-phenylphenyl) phosphate

C18H15O5P — CID 139950736

IUPAChydroxy phenyl (4-phenylphenyl) phosphate
SMILESO=P(OO)(Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15O5P/c19-23-24(20,21-17-9-5-2-6-10-17)22-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H
InChIKeySZZGSPAEGPMTAH-UHFFFAOYSA-N
MW342.29 g/mol
LogP5.41
Rot. Bonds6

About hydroxy phenyl (4-phenylphenyl) phosphate

hydroxy phenyl (4-phenylphenyl) phosphate (PubChem CID 139950736) has the molecular formula C18H15O5P and a molecular weight of 342.29 g/mol. Its IUPAC name is hydroxy phenyl (4-phenylphenyl) phosphate.

Molecular Properties

Compound Namehydroxy phenyl (4-phenylphenyl) phosphate
PubChem CID139950736
Molecular FormulaC18H15O5P
Molecular Weight342.29 g/mol
Exact Mass342.07
IUPAC Namehydroxy phenyl (4-phenylphenyl) phosphate
SMILESO=P(OO)(Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H15O5P/c19-23-24(20,21-17-9-5-2-6-10-17)22-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H
InChIKeySZZGSPAEGPMTAH-UHFFFAOYSA-N
XLogP5.41
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.29
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469
triphenyl phosphate;hydrate
CID 66881958
tris(4-phenoxyphenyl) phosphate
CID 70576220
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
hydroxy phenyl hydrogen phosphate
CID 19103302
[4-(4-methylphenyl)phenyl] diphenyl phosphate;oxo(diphenoxy)phosphanium
CID 91420416
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196
2-methylpropane;triphenyl phosphate
CID 91193965
bis(2-tert-butylphenyl) (4-phenylphenyl) phosphate
CID 68741476

Frequently Asked Questions

What is the IUPAC name of hydroxy phenyl (4-phenylphenyl) phosphate?
The IUPAC name of hydroxy phenyl (4-phenylphenyl) phosphate (CID 139950736) is hydroxy phenyl (4-phenylphenyl) phosphate.
What is the SMILES notation for hydroxy phenyl (4-phenylphenyl) phosphate?
The canonical SMILES for hydroxy phenyl (4-phenylphenyl) phosphate is O=P(OO)(Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of hydroxy phenyl (4-phenylphenyl) phosphate?
The InChIKey is SZZGSPAEGPMTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O5P/c19-23-24(20,21-17-9-5-2-6-10-17)22-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19H.
What are the key properties of hydroxy phenyl (4-phenylphenyl) phosphate?
hydroxy phenyl (4-phenylphenyl) phosphate has a molecular weight of 342.29 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy phenyl (4-phenylphenyl) phosphate is sourced from PubChem (CID 139950736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).