[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium

C8H9ClO2P+ — CID 135041660

IUPAC[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium
SMILESC=[P+](O)C(O)c1ccccc1Cl
InChIInChI=1S/C8H9ClO2P/c1-12(11)8(10)6-4-2-3-5-7(6)9/h2-5,8,10-11H,1H2/q+1
InChIKeyBMZNBPVWJJVZDP-UHFFFAOYSA-N
MW203.58 g/mol
LogP2.15
Rot. Bonds2

About [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium

[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium (PubChem CID 135041660) has the molecular formula C8H9ClO2P+ and a molecular weight of 203.58 g/mol. Its IUPAC name is [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium.

Molecular Properties

Compound Name[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium
PubChem CID135041660
Molecular FormulaC8H9ClO2P+
Molecular Weight203.58 g/mol
Exact Mass203.00
IUPAC Name[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium
SMILESC=[P+](O)C(O)c1ccccc1Cl
InChIInChI=1S/C8H9ClO2P/c1-12(11)8(10)6-4-2-3-5-7(6)9/h2-5,8,10-11H,1H2/q+1
InChIKeyBMZNBPVWJJVZDP-UHFFFAOYSA-N
XLogP2.15
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
(5-chlorofuran-2-yl)-(2-chlorophenyl)methanol
CID 106693568
1-chloro-2-[chloro-[chloro-(2-chlorophenyl)methoxy]methyl]benzene
CID 18755880
(1R)-2-amino-1-(2-chlorophenyl)ethanol;hydrochloride
CID 70700860
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
(1R)-2-bromo-1-(2-chlorophenyl)ethanol
CID 25324199
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
(2R)-2-(2-chlorophenyl)-2-hydroxyacetate
CID 6922876
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
2,2-dibromo-1-(2-chlorophenyl)-2-fluoroethanol
CID 165441420
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2-chlorophenyl)-(5-methylfuran-2-yl)methanol
CID 23912548

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium?
The IUPAC name of [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium (CID 135041660) is [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium.
What is the SMILES notation for [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium?
The canonical SMILES for [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium is C=[P+](O)C(O)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium?
The InChIKey is BMZNBPVWJJVZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2P/c1-12(11)8(10)6-4-2-3-5-7(6)9/h2-5,8,10-11H,1H2/q+1.
What are the key properties of [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium?
[(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium has a molecular weight of 203.58 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-hydroxymethyl]-hydroxy-methylidenephosphanium is sourced from PubChem (CID 135041660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).