1,2,2,2-tetrachloro-1-methoxyethanol

C3H4Cl4O2 — CID 151039988

IUPAC1,2,2,2-tetrachloro-1-methoxyethanol
SMILESCOC(O)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3
InChIKeyMBWMURYMMADPNZ-UHFFFAOYSA-N
MW213.88 g/mol
LogP1.89
Rot. Bonds1

About 1,2,2,2-tetrachloro-1-methoxyethanol

1,2,2,2-tetrachloro-1-methoxyethanol (PubChem CID 151039988) has the molecular formula C3H4Cl4O2 and a molecular weight of 213.88 g/mol. Its IUPAC name is 1,2,2,2-tetrachloro-1-methoxyethanol.

Molecular Properties

Compound Name1,2,2,2-tetrachloro-1-methoxyethanol
PubChem CID151039988
Molecular FormulaC3H4Cl4O2
Molecular Weight213.88 g/mol
Exact Mass211.90
IUPAC Name1,2,2,2-tetrachloro-1-methoxyethanol
SMILESCOC(O)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C3H4Cl4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3
InChIKeyMBWMURYMMADPNZ-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.88
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trichloro-2-methoxy-2-methylpropane
CID 14399470
trimethoxymethanol
CID 22386239
1,1,1-trichloro-2,2-difluoro-2-methoxyethane
CID 12624
2,2,2-trichloroethane-1,1,1-triol
CID 22414067
1,1,2,2,2-pentachloroethanol
CID 20511029
[hydroxy(dimethoxy)methyl] dihydrogen phosphate
CID 11851022
bis(1,1,1-trichloro-2-methylpropan-2-ol);hydrate
CID 5284505
copper;1,1-dimethoxyethanol
CID 174871236
(2-chloro-1-methoxy-1-oxopropan-2-yl)phosphonic acid
CID 154585130
[dichloro(phosphono)methyl]-dihydroxy-methoxyphosphanium
CID 155107432
1,1,2-trichloropropane-1,2-diol
CID 87301844
CID 155675070
CID 155675070

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetrachloro-1-methoxyethanol?
The IUPAC name of 1,2,2,2-tetrachloro-1-methoxyethanol (CID 151039988) is 1,2,2,2-tetrachloro-1-methoxyethanol.
What is the SMILES notation for 1,2,2,2-tetrachloro-1-methoxyethanol?
The canonical SMILES for 1,2,2,2-tetrachloro-1-methoxyethanol is COC(O)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,2,2-tetrachloro-1-methoxyethanol?
The InChIKey is MBWMURYMMADPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl4O2/c1-9-3(7,8)2(4,5)6/h8H,1H3.
What are the key properties of 1,2,2,2-tetrachloro-1-methoxyethanol?
1,2,2,2-tetrachloro-1-methoxyethanol has a molecular weight of 213.88 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetrachloro-1-methoxyethanol is sourced from PubChem (CID 151039988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).