[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate

C14H15O7P — CID 22673898

IUPAC[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cc(O)ccc1C(O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15O7P/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)21-22(18,19)20/h1-6,8,13,15-17H,7H2,(H2,18,19,20)
InChIKeyIDAMXDKKXGMCKS-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.85
Rot. Bonds5

About [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate

[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate (PubChem CID 22673898) has the molecular formula C14H15O7P and a molecular weight of 326.24 g/mol. Its IUPAC name is [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
PubChem CID22673898
Molecular FormulaC14H15O7P
Molecular Weight326.24 g/mol
Exact Mass326.06
IUPAC Name[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cc(O)ccc1C(O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15O7P/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)21-22(18,19)20/h1-6,8,13,15-17H,7H2,(H2,18,19,20)
InChIKeyIDAMXDKKXGMCKS-UHFFFAOYSA-N
XLogP1.85
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 22673477
[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)propyl]phenyl] dihydrogen phosphate
CID 22673661
[4-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl]sulfanylphosphonic acid
CID 22673501
[5-hydroxy-2-[1-(3-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 70147900
[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 22673753
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
[4-hydroxy-2-[4-(4-hydroxyphenyl)butanoyl]phenyl] dihydrogen phosphate
CID 22673522
[4-[2-amino-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647221
1-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
CID 14160605
[4-hydroxy-2-[3-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 22673959
[4-hydroxy-2-[1-hydroxy-2-(3-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 22673972
disodium;hydride;phosphono (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 175150888

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate (CID 22673898) is [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate is O=P(O)(O)Oc1cc(O)ccc1C(O)Cc1ccc(O)cc1.
What is the InChIKey of [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The InChIKey is IDAMXDKKXGMCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O7P/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)21-22(18,19)20/h1-6,8,13,15-17H,7H2,(H2,18,19,20).
What are the key properties of [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate has a molecular weight of 326.24 g/mol, XLogP of 1.85, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 22673898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).