ethyl bis(4-hydroxyphenyl) phosphate

C14H15O6P — CID 137357860

IUPACethyl bis(4-hydroxyphenyl) phosphate
SMILESCCOP(=O)(Oc1ccc(O)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C14H15O6P/c1-2-18-21(17,19-13-7-3-11(15)4-8-13)20-14-9-5-12(16)6-10-14/h3-10,15-16H,2H2,1H3
InChIKeyLFPHVWABWOAPNN-UHFFFAOYSA-N
MW310.24 g/mol
LogP3.70
Rot. Bonds6

About ethyl bis(4-hydroxyphenyl) phosphate

ethyl bis(4-hydroxyphenyl) phosphate (PubChem CID 137357860) has the molecular formula C14H15O6P and a molecular weight of 310.24 g/mol. Its IUPAC name is ethyl bis(4-hydroxyphenyl) phosphate.

Molecular Properties

Compound Nameethyl bis(4-hydroxyphenyl) phosphate
PubChem CID137357860
Molecular FormulaC14H15O6P
Molecular Weight310.24 g/mol
Exact Mass310.06
IUPAC Nameethyl bis(4-hydroxyphenyl) phosphate
SMILESCCOP(=O)(Oc1ccc(O)cc1)Oc1ccc(O)cc1
InChIInChI=1S/C14H15O6P/c1-2-18-21(17,19-13-7-3-11(15)4-8-13)20-14-9-5-12(16)6-10-14/h3-10,15-16H,2H2,1H3
InChIKeyLFPHVWABWOAPNN-UHFFFAOYSA-N
XLogP3.70
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 75654
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CID 17312
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CID 13282
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CID 82027
CID 82027
CID 62550
CID 62550
CID 8291
CID 8291
CID 8290
CID 8290
CID 17682
CID 17682
CID 230483
CID 230483
CID 2773717
CID 2773717
CID 6327546
CID 6327546
CID 214694
CID 214694

Frequently Asked Questions

What is the IUPAC name of ethyl bis(4-hydroxyphenyl) phosphate?
The IUPAC name of ethyl bis(4-hydroxyphenyl) phosphate (CID 137357860) is ethyl bis(4-hydroxyphenyl) phosphate.
What is the SMILES notation for ethyl bis(4-hydroxyphenyl) phosphate?
The canonical SMILES for ethyl bis(4-hydroxyphenyl) phosphate is CCOP(=O)(Oc1ccc(O)cc1)Oc1ccc(O)cc1.
What is the InChIKey of ethyl bis(4-hydroxyphenyl) phosphate?
The InChIKey is LFPHVWABWOAPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O6P/c1-2-18-21(17,19-13-7-3-11(15)4-8-13)20-14-9-5-12(16)6-10-14/h3-10,15-16H,2H2,1H3.
What are the key properties of ethyl bis(4-hydroxyphenyl) phosphate?
ethyl bis(4-hydroxyphenyl) phosphate has a molecular weight of 310.24 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl bis(4-hydroxyphenyl) phosphate is sourced from PubChem (CID 137357860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).