[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate

C8H10ClO5P — CID 175482613

IUPAC[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
SMILESCOC(OP(=O)(O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO5P/c1-13-8(14-15(10,11)12)6-2-4-7(9)5-3-6/h2-5,8H,1H3,(H2,10,11,12)
InChIKeyYQHKZWAXDYPTDH-UHFFFAOYSA-N
MW252.59 g/mol
LogP2.09
Rot. Bonds4

About [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate

[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate (PubChem CID 175482613) has the molecular formula C8H10ClO5P and a molecular weight of 252.59 g/mol. Its IUPAC name is [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
PubChem CID175482613
Molecular FormulaC8H10ClO5P
Molecular Weight252.59 g/mol
Exact Mass252.00
IUPAC Name[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
SMILESCOC(OP(=O)(O)O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO5P/c1-13-8(14-15(10,11)12)6-2-4-7(9)5-3-6/h2-5,8H,1H3,(H2,10,11,12)
InChIKeyYQHKZWAXDYPTDH-UHFFFAOYSA-N
XLogP2.09
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.59
LogP ≤ 52.09
H-Bond Donors ≤ 52
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'}

Analyze [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate 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

[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
1,4-dichlorobenzene;phosphoric acid
CID 175035024
[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
[(4-chlorophenyl)-methoxymethyl]urea
CID 54239843
[(4-chlorophenyl)-[ethoxy(hydroxy)phosphoryl]methyl]-ethoxyphosphinic acid
CID 102300014
[(S)-(4-chlorophenyl)-dimethoxyphosphorylmethyl] dimethyl phosphate
CID 76958127
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509
(3S)-3-(4-chlorophenyl)-3-methoxypropanehydrazide
CID 125467780
1-(4-chlorophenyl)-1,3-dimethoxypropan-2-one
CID 14813833
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936

Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate?
The IUPAC name of [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate (CID 175482613) is [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate.
What is the SMILES notation for [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate?
The canonical SMILES for [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate is COC(OP(=O)(O)O)c1ccc(Cl)cc1.
What is the InChIKey of [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate?
The InChIKey is YQHKZWAXDYPTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO5P/c1-13-8(14-15(10,11)12)6-2-4-7(9)5-3-6/h2-5,8H,1H3,(H2,10,11,12).
What are the key properties of [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate?
[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate has a molecular weight of 252.59 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate is sourced from PubChem (CID 175482613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).