[(3-chlorophenyl)-hydroxymethyl]phosphonic acid

C7H8ClO4P — CID 24866948

IUPAC[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClO4P/c8-6-3-1-2-5(4-6)7(9)13(10,11)12/h1-4,7,9H,(H2,10,11,12)
InChIKeyHICJUVHIXUVWHA-UHFFFAOYSA-N
MW222.56 g/mol
LogP1.51
Rot. Bonds2

About [(3-chlorophenyl)-hydroxymethyl]phosphonic acid

[(3-chlorophenyl)-hydroxymethyl]phosphonic acid (PubChem CID 24866948) has the molecular formula C7H8ClO4P and a molecular weight of 222.56 g/mol. Its IUPAC name is [(3-chlorophenyl)-hydroxymethyl]phosphonic acid.

Molecular Properties

Compound Name[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
PubChem CID24866948
Molecular FormulaC7H8ClO4P
Molecular Weight222.56 g/mol
Exact Mass221.98
IUPAC Name[(3-chlorophenyl)-hydroxymethyl]phosphonic acid
SMILESO=P(O)(O)C(O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClO4P/c8-6-3-1-2-5(4-6)7(9)13(10,11)12/h1-4,7,9H,(H2,10,11,12)
InChIKeyHICJUVHIXUVWHA-UHFFFAOYSA-N
XLogP1.51
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.56
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl)-fluoromethanol
CID 70239224
(3-chlorophenyl)methanediol
CID 20679602
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
3-(3-chlorophenyl)butan-2-ol
CID 66437186
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
(1S)-1-(3-chlorophenyl)-1-hydroxy-3-methylbutan-2-one
CID 129386810
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
[(1R)-1-(3-chlorophenyl)-2,2,2-trifluoroethoxy]-methylphosphinic acid
CID 2249197

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)-hydroxymethyl]phosphonic acid?
The IUPAC name of [(3-chlorophenyl)-hydroxymethyl]phosphonic acid (CID 24866948) is [(3-chlorophenyl)-hydroxymethyl]phosphonic acid.
What is the SMILES notation for [(3-chlorophenyl)-hydroxymethyl]phosphonic acid?
The canonical SMILES for [(3-chlorophenyl)-hydroxymethyl]phosphonic acid is O=P(O)(O)C(O)c1cccc(Cl)c1.
What is the InChIKey of [(3-chlorophenyl)-hydroxymethyl]phosphonic acid?
The InChIKey is HICJUVHIXUVWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClO4P/c8-6-3-1-2-5(4-6)7(9)13(10,11)12/h1-4,7,9H,(H2,10,11,12).
What are the key properties of [(3-chlorophenyl)-hydroxymethyl]phosphonic acid?
[(3-chlorophenyl)-hydroxymethyl]phosphonic acid has a molecular weight of 222.56 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)-hydroxymethyl]phosphonic acid is sourced from PubChem (CID 24866948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).