2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate

C9H13O7P — CID 67374454

IUPAC2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate
SMILESCOc1cc(OCCOP(=O)(O)O)ccc1O
InChIInChI=1S/C9H13O7P/c1-14-9-6-7(2-3-8(9)10)15-4-5-16-17(11,12)13/h2-3,6,10H,4-5H2,1H3,(H2,11,12,13)
InChIKeyWDVIXCSDTZZEMI-UHFFFAOYSA-N
MW264.17 g/mol
LogP0.89
Rot. Bonds6

About 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate

2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate (PubChem CID 67374454) has the molecular formula C9H13O7P and a molecular weight of 264.17 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate
PubChem CID67374454
Molecular FormulaC9H13O7P
Molecular Weight264.17 g/mol
Exact Mass264.04
IUPAC Name2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate
SMILESCOc1cc(OCCOP(=O)(O)O)ccc1O
InChIInChI=1S/C9H13O7P/c1-14-9-6-7(2-3-8(9)10)15-4-5-16-17(11,12)13/h2-3,6,10H,4-5H2,1H3,(H2,11,12,13)
InChIKeyWDVIXCSDTZZEMI-UHFFFAOYSA-N
XLogP0.89
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-2-methoxyphenol
CID 53249740
4-ethoxy-2-methoxyphenol
CID 54107015
2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
CID 131964251
bis[2-(4-hydroxy-3-methoxyphenyl)ethyl] hydrogen phosphate
CID 164613132
2-[(2-methyl-1H-indol-5-yl)oxy]ethyl dihydrogen phosphate
CID 59303242
4-[3-[dimethyl(prop-2-enoxy)silyl]propoxy]-2-methoxyphenol
CID 20667337
3-(4-hydroxy-3-methoxyphenoxy)propane-1,2-diol;sulfuric acid
CID 175056796
[2-(4-hydroxy-3-propan-2-yloxyphenoxy)-3-phosphonooxypropyl] dihydrogen phosphate
CID 87392677
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
4-[(2-fluorophenyl)methoxy]-2-methoxyphenol
CID 174834287

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate (CID 67374454) is 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate is COc1cc(OCCOP(=O)(O)O)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate?
The InChIKey is WDVIXCSDTZZEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O7P/c1-14-9-6-7(2-3-8(9)10)15-4-5-16-17(11,12)13/h2-3,6,10H,4-5H2,1H3,(H2,11,12,13).
What are the key properties of 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate?
2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate has a molecular weight of 264.17 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate is sourced from PubChem (CID 67374454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).