1-(2-chloro-5-nitrophenyl)ethanol

C8H8ClNO3 — CID 130059410

IUPAC1-(2-chloro-5-nitrophenyl)ethanol
SMILESCC(O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-5,11H,1H3
InChIKeyUBPVEPRFYAHWHM-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.30
Rot. Bonds2

About 1-(2-chloro-5-nitrophenyl)ethanol

1-(2-chloro-5-nitrophenyl)ethanol (PubChem CID 130059410) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is 1-(2-chloro-5-nitrophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-5-nitrophenyl)ethanol
PubChem CID130059410
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name1-(2-chloro-5-nitrophenyl)ethanol
SMILESCC(O)c1cc([N+](=O)[O-])ccc1Cl
InChIInChI=1S/C8H8ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-5,11H,1H3
InChIKeyUBPVEPRFYAHWHM-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-nitrophenyl)ethanol?
The IUPAC name of 1-(2-chloro-5-nitrophenyl)ethanol (CID 130059410) is 1-(2-chloro-5-nitrophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-5-nitrophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-5-nitrophenyl)ethanol is CC(O)c1cc([N+](=O)[O-])ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-nitrophenyl)ethanol?
The InChIKey is UBPVEPRFYAHWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-5(11)7-4-6(10(12)13)2-3-8(7)9/h2-5,11H,1H3.
What are the key properties of 1-(2-chloro-5-nitrophenyl)ethanol?
1-(2-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-(2-chloro-5-nitrophenyl)ethanol is sourced from PubChem (CID 130059410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).