[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid

C14H15O7PS — CID 69044867

IUPAC[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(S(=O)(=O)c2ccc(OCO)cc2)cc1
InChIInChI=1S/C14H15O7PS/c15-10-21-12-3-7-14(8-4-12)23(19,20)13-5-1-11(2-6-13)9-22(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)
InChIKeyFPIZQGYAASBQJA-UHFFFAOYSA-N
MW358.31 g/mol
LogP1.53
Rot. Bonds6

About [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid

[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid (PubChem CID 69044867) has the molecular formula C14H15O7PS and a molecular weight of 358.31 g/mol. Its IUPAC name is [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid
PubChem CID69044867
Molecular FormulaC14H15O7PS
Molecular Weight358.31 g/mol
Exact Mass358.03
IUPAC Name[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(S(=O)(=O)c2ccc(OCO)cc2)cc1
InChIInChI=1S/C14H15O7PS/c15-10-21-12-3-7-14(8-4-12)23(19,20)13-5-1-11(2-6-13)9-22(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)
InChIKeyFPIZQGYAASBQJA-UHFFFAOYSA-N
XLogP1.53
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
CID 150527208
[4-[4-(cyclopropylmethylsulfonyl)phenoxy]phenyl]methylphosphonic acid
CID 71274721
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
4-[4-(2-hydroxyethoxy)phenyl]sulfonylphenol
CID 71105889
4-[4-[[ethoxy(hydroxy)phosphoryl]methyl]phenyl]sulfonylbenzoic acid
CID 87175689
(4-methylphenyl)methylphosphonic acid
CID 2773801
[4-(aminomethyl)phenyl]methylphosphonic acid
CID 67458029
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
1-(benzenesulfonyl)-4-(phenoxymethyl)benzene
CID 925876
1-(6-methoxyhexoxy)-4-[4-(6-methoxyhexoxy)phenyl]sulfonylbenzene
CID 58939456

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid?
The IUPAC name of [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid (CID 69044867) is [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid.
What is the SMILES notation for [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid?
The canonical SMILES for [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid is O=P(O)(O)Cc1ccc(S(=O)(=O)c2ccc(OCO)cc2)cc1.
What is the InChIKey of [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid?
The InChIKey is FPIZQGYAASBQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O7PS/c15-10-21-12-3-7-14(8-4-12)23(19,20)13-5-1-11(2-6-13)9-22(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18).
What are the key properties of [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid?
[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid has a molecular weight of 358.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid is sourced from PubChem (CID 69044867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).