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

C14H15O7P — CID 22673477

IUPAC[3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(O)c1C(O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15O7P/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)21-22(18,19)20/h1-7,12,15-17H,8H2,(H2,18,19,20)
InChIKeyVYNZYUSVNCMCCT-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.85
Rot. Bonds5

About [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate

[3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate (PubChem CID 22673477) has the molecular formula C14H15O7P and a molecular weight of 326.24 g/mol. Its IUPAC name is [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
PubChem CID22673477
Molecular FormulaC14H15O7P
Molecular Weight326.24 g/mol
Exact Mass326.06
IUPAC Name[3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(O)c1C(O)Cc1ccc(O)cc1
InChIInChI=1S/C14H15O7P/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)21-22(18,19)20/h1-7,12,15-17H,8H2,(H2,18,19,20)
InChIKeyVYNZYUSVNCMCCT-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

[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 22673898
[3-hydroxy-2-[1-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 70148143
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
[2,3-di(pentan-2-yl)phenyl] dihydrogen phosphate
CID 22497485
[2-[1,1-dihydroxy-2-(4-hydroxyphenyl)butyl]-3-hydroxyphenyl] dihydrogen phosphate
CID 22673484
[3-hydroxy-2-[1-hydroxy-4-(4-hydroxyphenyl)butyl]anilino]phosphonic acid
CID 54197801
[4-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl]sulfanylphosphonic acid
CID 22673501
[4-[2-amino-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647221
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
[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
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The IUPAC name of [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate (CID 22673477) is [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate is O=P(O)(O)Oc1cccc(O)c1C(O)Cc1ccc(O)cc1.
What is the InChIKey of [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
The InChIKey is VYNZYUSVNCMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O7P/c15-10-6-4-9(5-7-10)8-12(17)14-11(16)2-1-3-13(14)21-22(18,19)20/h1-7,12,15-17H,8H2,(H2,18,19,20).
What are the key properties of [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate?
[3-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 [3-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 22673477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).