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

C16H19O6P — CID 22673753

IUPAC[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
SMILESCCC(Cc1ccc(O)cc1OP(=O)(O)O)c1ccc(O)cc1
InChIInChI=1S/C16H19O6P/c1-2-11(12-3-6-14(17)7-4-12)9-13-5-8-15(18)10-16(13)22-23(19,20)21/h3-8,10-11,17-18H,2,9H2,1H3,(H2,19,20,21)
InChIKeyAIYGPJPPUWCQML-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.31
Rot. Bonds6

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

[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate (PubChem CID 22673753) has the molecular formula C16H19O6P and a molecular weight of 338.30 g/mol. Its IUPAC name is [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
PubChem CID22673753
Molecular FormulaC16H19O6P
Molecular Weight338.30 g/mol
Exact Mass338.09
IUPAC Name[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
SMILESCCC(Cc1ccc(O)cc1OP(=O)(O)O)c1ccc(O)cc1
InChIInChI=1S/C16H19O6P/c1-2-11(12-3-6-14(17)7-4-12)9-13-5-8-15(18)10-16(13)22-23(19,20)21/h3-8,10-11,17-18H,2,9H2,1H3,(H2,19,20,21)
InChIKeyAIYGPJPPUWCQML-UHFFFAOYSA-N
XLogP3.31
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl]phosphonic acid
CID 57191516
[4-hydroxy-2-[3-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 22673959
[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)propyl]phenyl] dihydrogen phosphate
CID 22673661
[5-hydroxy-2-[2-(3-hydroxyphenyl)butyl]phenyl]phosphonic acid
CID 56977149
[4-[4-(4-hydroxyphenyl)hexan-3-yl]phenyl] dihydrogen phosphate
CID 22234939
[5-hydroxy-2-[1-hydroxy-2-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 22673898
[5-hydroxy-2-[2-(3-hydroxyphenyl)butyl]anilino]phosphonic acid
CID 57144956
4-[3-hydroxy-2-(4-hydroxyphenyl)propyl]benzene-1,3-diol
CID 78166649
[3-hydroxy-2-[1-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 70148143
[2-[1,1-dihydroxy-2-(4-hydroxyphenyl)butyl]-3-hydroxyphenyl] dihydrogen phosphate
CID 22673484
[5-hydroxy-2-[1-(3-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate
CID 70147900
4-[1-[4-(aminomethyl)phenyl]butan-2-yl]phenol
CID 174786387

Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate?
The IUPAC name of [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate (CID 22673753) is [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate.
What is the SMILES notation for [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate?
The canonical SMILES for [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate is CCC(Cc1ccc(O)cc1OP(=O)(O)O)c1ccc(O)cc1.
What is the InChIKey of [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate?
The InChIKey is AIYGPJPPUWCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O6P/c1-2-11(12-3-6-14(17)7-4-12)9-13-5-8-15(18)10-16(13)22-23(19,20)21/h3-8,10-11,17-18H,2,9H2,1H3,(H2,19,20,21).
What are the key properties of [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate?
[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate has a molecular weight of 338.30 g/mol, XLogP of 3.31, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl] dihydrogen phosphate is sourced from PubChem (CID 22673753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).