(3-hydroxy-4-methoxyphenyl)methylphosphonic acid

C8H11O5P — CID 20634483

IUPAC(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
SMILESCOc1ccc(CP(=O)(O)O)cc1O
InChIInChI=1S/C8H11O5P/c1-13-8-3-2-6(4-7(8)9)5-14(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12)
InChIKeyLUJJAANYVZJRRX-UHFFFAOYSA-N
MW218.14 g/mol
LogP1.08
Rot. Bonds3

About (3-hydroxy-4-methoxyphenyl)methylphosphonic acid

(3-hydroxy-4-methoxyphenyl)methylphosphonic acid (PubChem CID 20634483) has the molecular formula C8H11O5P and a molecular weight of 218.14 g/mol. Its IUPAC name is (3-hydroxy-4-methoxyphenyl)methylphosphonic acid.

Molecular Properties

Compound Name(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
PubChem CID20634483
Molecular FormulaC8H11O5P
Molecular Weight218.14 g/mol
Exact Mass218.03
IUPAC Name(3-hydroxy-4-methoxyphenyl)methylphosphonic acid
SMILESCOc1ccc(CP(=O)(O)O)cc1O
InChIInChI=1S/C8H11O5P/c1-13-8-3-2-6(4-7(8)9)5-14(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12)
InChIKeyLUJJAANYVZJRRX-UHFFFAOYSA-N
XLogP1.08
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998
(3-hydroxy-4-methoxyphenyl)methyl-methylazanium
CID 7298318
(3-hydroxy-4-methoxyphenyl)methyl-methylazanide
CID 59297645
5-(2-aminoethyl)-2-methoxyphenol chloride
CID 53313231
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
CID 83830640
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methoxyphenyl)methylphosphonic acid?
The IUPAC name of (3-hydroxy-4-methoxyphenyl)methylphosphonic acid (CID 20634483) is (3-hydroxy-4-methoxyphenyl)methylphosphonic acid.
What is the SMILES notation for (3-hydroxy-4-methoxyphenyl)methylphosphonic acid?
The canonical SMILES for (3-hydroxy-4-methoxyphenyl)methylphosphonic acid is COc1ccc(CP(=O)(O)O)cc1O.
What is the InChIKey of (3-hydroxy-4-methoxyphenyl)methylphosphonic acid?
The InChIKey is LUJJAANYVZJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O5P/c1-13-8-3-2-6(4-7(8)9)5-14(10,11)12/h2-4,9H,5H2,1H3,(H2,10,11,12).
What are the key properties of (3-hydroxy-4-methoxyphenyl)methylphosphonic acid?
(3-hydroxy-4-methoxyphenyl)methylphosphonic acid has a molecular weight of 218.14 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methoxyphenyl)methylphosphonic acid is sourced from PubChem (CID 20634483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).