2,2,2-trichloro-1-(2-nitrophenyl)ethanol

C8H6Cl3NO3 — CID 11207975

IUPAC2,2,2-trichloro-1-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-3-1-2-4-6(5)12(14)15/h1-4,7,13H
InChIKeyGRWBLBHRPXPVKG-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.00
Rot. Bonds2

About 2,2,2-trichloro-1-(2-nitrophenyl)ethanol

2,2,2-trichloro-1-(2-nitrophenyl)ethanol (PubChem CID 11207975) has the molecular formula C8H6Cl3NO3 and a molecular weight of 270.50 g/mol. Its IUPAC name is 2,2,2-trichloro-1-(2-nitrophenyl)ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-(2-nitrophenyl)ethanol
PubChem CID11207975
Molecular FormulaC8H6Cl3NO3
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name2,2,2-trichloro-1-(2-nitrophenyl)ethanol
SMILESO=[N+]([O-])c1ccccc1C(O)C(Cl)(Cl)Cl
InChIInChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-3-1-2-4-6(5)12(14)15/h1-4,7,13H
InChIKeyGRWBLBHRPXPVKG-UHFFFAOYSA-N
XLogP3.00
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-(2-nitrophenyl)propanedioic acid
CID 18413218
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
1,3-dibromo-1,3-bis(2-nitrophenyl)propan-2-one
CID 101219469
diphenylphosphanyl-(2-nitrophenyl)methanol
CID 91174471
1,5-dibromo-2,4-bis(2-nitrophenyl)pentan-3-one
CID 152545719
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
methyl (2S)-2-hydroxy-2-(2-nitrophenyl)acetate
CID 7054379
(1R)-1-(2-nitrophenyl)pentan-1-ol
CID 129395875
(2S)-2-(2-nitrophenyl)butanoic acid
CID 93333341

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-1-(2-nitrophenyl)ethanol?
The IUPAC name of 2,2,2-trichloro-1-(2-nitrophenyl)ethanol (CID 11207975) is 2,2,2-trichloro-1-(2-nitrophenyl)ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-(2-nitrophenyl)ethanol?
The canonical SMILES for 2,2,2-trichloro-1-(2-nitrophenyl)ethanol is O=[N+]([O-])c1ccccc1C(O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-(2-nitrophenyl)ethanol?
The InChIKey is GRWBLBHRPXPVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3NO3/c9-8(10,11)7(13)5-3-1-2-4-6(5)12(14)15/h1-4,7,13H.
What are the key properties of 2,2,2-trichloro-1-(2-nitrophenyl)ethanol?
2,2,2-trichloro-1-(2-nitrophenyl)ethanol has a molecular weight of 270.50 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-(2-nitrophenyl)ethanol is sourced from PubChem (CID 11207975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).