1-(3-chloro-5-nitrophenyl)ethanol

C8H8ClNO3 — CID 139729439

IUPAC1-(3-chloro-5-nitrophenyl)ethanol
SMILESCC(O)c1cc(Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-5,11H,1H3
InChIKeyTWZYSAVISPDQHM-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.30
Rot. Bonds2

About 1-(3-chloro-5-nitrophenyl)ethanol

1-(3-chloro-5-nitrophenyl)ethanol (PubChem CID 139729439) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 1-(3-chloro-5-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-nitrophenyl)ethanol
PubChem CID139729439
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name1-(3-chloro-5-nitrophenyl)ethanol
SMILESCC(O)c1cc(Cl)cc([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-5,11H,1H3
InChIKeyTWZYSAVISPDQHM-UHFFFAOYSA-N
XLogP2.30
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-5-nitrophenyl)-(3,4-dimethylphenyl)methanamine
CID 43824984
3-chloro-N-(5-hydroxypentan-2-yl)-5-nitrobenzamide
CID 81002754
1-(4-nitrophenyl)ethanol;1-(4-nitrophenyl)propan-1-ol
CID 87950417
(3-chloro-5-nitrophenyl)phosphonic acid
CID 134986189
3-chloro-N-(2-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103770934
3-chloro-N-(4-hydroxypentyl)-5-nitrobenzamide
CID 107300573
3-chloro-5-nitro-N-oxidoaniline
CID 145476773
4-chloro-1-(3-methyl-5-nitrophenyl)butane-1,2-diol
CID 171894280
1-[3-nitro-5-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818802
3-chloro-N-(2-methylpropoxy)-5-nitrobenzamide
CID 113304415
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
1-(2,6-dichloro-4-nitrophenoxy)propan-2-ol
CID 65278078

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-nitrophenyl)ethanol?
The IUPAC name of 1-(3-chloro-5-nitrophenyl)ethanol (CID 139729439) is 1-(3-chloro-5-nitrophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-nitrophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-5-nitrophenyl)ethanol is CC(O)c1cc(Cl)cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-chloro-5-nitrophenyl)ethanol?
The InChIKey is TWZYSAVISPDQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-5(11)6-2-7(9)4-8(3-6)10(12)13/h2-5,11H,1H3.
What are the key properties of 1-(3-chloro-5-nitrophenyl)ethanol?
1-(3-chloro-5-nitrophenyl)ethanol has a molecular weight of 201.61 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-nitrophenyl)ethanol is sourced from PubChem (CID 139729439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).