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

C14H15O5P — CID 150527208

IUPAC[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2ccc(OCO)cc2)cc1
InChIInChI=1S/C14H15O5P/c15-10-19-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)
InChIKeyIDBLBHROWWIOKQ-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.36
Rot. Bonds5

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

[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid (PubChem CID 150527208) has the molecular formula C14H15O5P and a molecular weight of 294.24 g/mol. Its IUPAC name is [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid.

Molecular Properties

Compound Name[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
PubChem CID150527208
Molecular FormulaC14H15O5P
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2ccc(OCO)cc2)cc1
InChIInChI=1S/C14H15O5P/c15-10-19-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18)
InChIKeyIDBLBHROWWIOKQ-UHFFFAOYSA-N
XLogP2.36
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(hydroxymethoxy)phenyl]sulfonylphenyl]methylphosphonic acid
CID 69044867
ethoxy-[[4-[[4-(hydroxymethoxy)phenyl]methyl]phenyl]methyl]phosphinic acid
CID 87671559
(4-phenylphenoxy)methanol
CID 71028246
[4-(aminomethyl)phenyl]methylphosphonic acid
CID 67458029
[4-[[4-[5-[1-[[4-(phosphonomethyl)phenyl]methyl]pyridin-1-ium-4-yl]-2-pyridinyl]pyridin-1-ium-1-yl]methyl]phenyl]methylphosphonic acid dibromide
CID 159591586
[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenyl]methylphosphonic acid
CID 132968810
butan-2-yloxy-[[4-(2-hydroxyethoxy)phenyl]methyl]phosphinic acid
CID 87176074
1-[4-(hydroxymethoxy)phenyl]butane-2,3-dione
CID 141216254
[4-(methylamino)phenyl]methylphosphonic acid
CID 70930648
(4-methoxyphenoxy)methanol
CID 20580272
[4-[4-(1-methoxyethoxy)phenyl]sulfanylphenyl]methylphosphonic acid
CID 66841767
naphthalen-2-ylmethylphosphonic acid
CID 3696145

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid?
The IUPAC name of [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid (CID 150527208) is [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid.
What is the SMILES notation for [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid?
The canonical SMILES for [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid is O=P(O)(O)Cc1ccc(-c2ccc(OCO)cc2)cc1.
What is the InChIKey of [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid?
The InChIKey is IDBLBHROWWIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O5P/c15-10-19-14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-20(16,17)18/h1-8,15H,9-10H2,(H2,16,17,18).
What are the key properties of [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid?
[4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid has a molecular weight of 294.24 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethoxy)phenyl]phenyl]methylphosphonic acid is sourced from PubChem (CID 150527208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).