2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol

C10H14ClO4P — CID 11860803

IUPAC2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol
SMILESCCO[P@@](=O)(CCl)COc1ccccc1O
InChIInChI=1S/C10H14ClO4P/c1-2-15-16(13,7-11)8-14-10-6-4-3-5-9(10)12/h3-6,12H,2,7-8H2,1H3/t16-/m0/s1
InChIKeyITNYUEBELLUJPE-INIZCTEOSA-N
MW264.64 g/mol
LogP3.24
Rot. Bonds6

About 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol

2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol (PubChem CID 11860803) has the molecular formula C10H14ClO4P and a molecular weight of 264.64 g/mol. Its IUPAC name is 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol.

Molecular Properties

Compound Name2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol
PubChem CID11860803
Molecular FormulaC10H14ClO4P
Molecular Weight264.64 g/mol
Exact Mass264.03
IUPAC Name2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol
SMILESCCO[P@@](=O)(CCl)COc1ccccc1O
InChIInChI=1S/C10H14ClO4P/c1-2-15-16(13,7-11)8-14-10-6-4-3-5-9(10)12/h3-6,12H,2,7-8H2,1H3/t16-/m0/s1
InChIKeyITNYUEBELLUJPE-INIZCTEOSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 53.24
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'}

Analyze 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol 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

2-(diphenylphosphorylmethoxy)phenol
CID 13354416
[chloromethyl(ethoxy)phosphoryl]oxybenzene
CID 71429135
ethyl (2-hydroxyphenyl) (2-nitrophenyl) phosphate
CID 66973952
2-(2-propylsulfonylethoxy)phenol
CID 106726690
2-[2-chloroethyl(octoxy)phosphoryl]oxyphenol
CID 71410364
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
(2-hydroxyphenyl) methanesulfonate
CID 13248339
diethyl (2-hydroxyphenyl)methyl phosphate
CID 174892614
2-tridecoxyphenol
CID 67178320
N-(2-ethyl-2-hydroxybutyl)-2-(2-hydroxyphenoxy)acetamide
CID 65113679
2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol;methanol
CID 139058411

Frequently Asked Questions

What is the IUPAC name of 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol?
The IUPAC name of 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol (CID 11860803) is 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol.
What is the SMILES notation for 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol?
The canonical SMILES for 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol is CCO[P@@](=O)(CCl)COc1ccccc1O.
What is the InChIKey of 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol?
The InChIKey is ITNYUEBELLUJPE-INIZCTEOSA-N. The full InChI is InChI=1S/C10H14ClO4P/c1-2-15-16(13,7-11)8-14-10-6-4-3-5-9(10)12/h3-6,12H,2,7-8H2,1H3/t16-/m0/s1.
What are the key properties of 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol?
2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol has a molecular weight of 264.64 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[chloromethyl(ethoxy)phosphoryl]methoxy]phenol is sourced from PubChem (CID 11860803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).