chloromethyl phenylmethoxy hydrogen phosphate

C8H10ClO5P — CID 174910473

IUPACchloromethyl phenylmethoxy hydrogen phosphate
SMILESO=P(O)(OCCl)OOCc1ccccc1
InChIInChI=1S/C8H10ClO5P/c9-7-13-15(10,11)14-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyRLHCLDLCSZAWOO-UHFFFAOYSA-N
MW252.59 g/mol
LogP2.45
Rot. Bonds6

About chloromethyl phenylmethoxy hydrogen phosphate

chloromethyl phenylmethoxy hydrogen phosphate (PubChem CID 174910473) has the molecular formula C8H10ClO5P and a molecular weight of 252.59 g/mol. Its IUPAC name is chloromethyl phenylmethoxy hydrogen phosphate.

Molecular Properties

Compound Namechloromethyl phenylmethoxy hydrogen phosphate
PubChem CID174910473
Molecular FormulaC8H10ClO5P
Molecular Weight252.59 g/mol
Exact Mass252.00
IUPAC Namechloromethyl phenylmethoxy hydrogen phosphate
SMILESO=P(O)(OCCl)OOCc1ccccc1
InChIInChI=1S/C8H10ClO5P/c9-7-13-15(10,11)14-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyRLHCLDLCSZAWOO-UHFFFAOYSA-N
XLogP2.45
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.59
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
dibenzyl hydrogen phosphate;silver
CID 85301331
chloro(iodo)methane;dibenzyl chloromethyl phosphate;dibenzyl hydrogen phosphate;silver
CID 158261759
dibenzyl chloromethyl phosphate;ethane
CID 144742868
benzyl tert-butyl hydrogen phosphate
CID 140989025
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
[hydroxy(phenylmethoxy)phosphoryl]phosphonic acid
CID 87473581
2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
dibenzyl benzylperoxymethyl phosphate
CID 138564478
phenylmethoxy-(2-phenylphenyl)phosphinic acid
CID 139679821
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
bis(phenylmethoxy)phosphorylboranuide
CID 157313450

Frequently Asked Questions

What is the IUPAC name of chloromethyl phenylmethoxy hydrogen phosphate?
The IUPAC name of chloromethyl phenylmethoxy hydrogen phosphate (CID 174910473) is chloromethyl phenylmethoxy hydrogen phosphate.
What is the SMILES notation for chloromethyl phenylmethoxy hydrogen phosphate?
The canonical SMILES for chloromethyl phenylmethoxy hydrogen phosphate is O=P(O)(OCCl)OOCc1ccccc1.
What is the InChIKey of chloromethyl phenylmethoxy hydrogen phosphate?
The InChIKey is RLHCLDLCSZAWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO5P/c9-7-13-15(10,11)14-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11).
What are the key properties of chloromethyl phenylmethoxy hydrogen phosphate?
chloromethyl phenylmethoxy hydrogen phosphate has a molecular weight of 252.59 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl phenylmethoxy hydrogen phosphate is sourced from PubChem (CID 174910473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).