2-chloro-1-dimethoxyphosphoryl-1-phenylethanol

C10H14ClO4P — CID 12886121

IUPAC2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
SMILESCOP(=O)(OC)C(O)(CCl)c1ccccc1
InChIInChI=1S/C10H14ClO4P/c1-14-16(13,15-2)10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyIPCRMILGFVQHSQ-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.56
Rot. Bonds5

About 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol

2-chloro-1-dimethoxyphosphoryl-1-phenylethanol (PubChem CID 12886121) has the molecular formula C10H14ClO4P and a molecular weight of 264.64 g/mol. Its IUPAC name is 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol.

Molecular Properties

Compound Name2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
PubChem CID12886121
Molecular FormulaC10H14ClO4P
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name2-chloro-1-dimethoxyphosphoryl-1-phenylethanol
SMILESCOP(=O)(OC)C(O)(CCl)c1ccccc1
InChIInChI=1S/C10H14ClO4P/c1-14-16(13,15-2)10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3
InChIKeyIPCRMILGFVQHSQ-UHFFFAOYSA-N
XLogP2.56
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol?
The IUPAC name of 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol (CID 12886121) is 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol.
What is the SMILES notation for 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol?
The canonical SMILES for 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol is COP(=O)(OC)C(O)(CCl)c1ccccc1.
What is the InChIKey of 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol?
The InChIKey is IPCRMILGFVQHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClO4P/c1-14-16(13,15-2)10(12,8-11)9-6-4-3-5-7-9/h3-7,12H,8H2,1-2H3.
What are the key properties of 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol?
2-chloro-1-dimethoxyphosphoryl-1-phenylethanol has a molecular weight of 264.64 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-dimethoxyphosphoryl-1-phenylethanol is sourced from PubChem (CID 12886121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).