(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol

C14H11ClFNO4 — CID 107717355

IUPAC(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m0/s1
InChIKeyRXLGLOOWHNMTIP-QMMMGPOBSA-N
MW311.70 g/mol
LogP4.23
Rot. Bonds4

About (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol

(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol (PubChem CID 107717355) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
PubChem CID107717355
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
SMILESC[C@H](O)c1cc(F)ccc1Oc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H11ClFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m0/s1
InChIKeyRXLGLOOWHNMTIP-QMMMGPOBSA-N
XLogP4.23
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol 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

(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717188
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 107717189
(1R)-1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 81495973
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
1-[5-fluoro-2-(2-methyl-3-nitrophenoxy)phenyl]ethanol
CID 61031418
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]ethanol
CID 116689382
1-[5-fluoro-2-(3-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61038303
1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107717664
(1R)-1-[2-(2-chloro-6-nitrophenoxy)-6-fluorophenyl]ethanamine
CID 107717146
1-[2-(2-bromo-6-nitrophenoxy)-5-fluorophenyl]ethanamine
CID 81495787
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol (CID 107717355) is (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol is C[C@H](O)c1cc(F)ccc1Oc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol?
The InChIKey is RXLGLOOWHNMTIP-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-8(18)10-7-9(16)5-6-13(10)21-14-11(15)3-2-4-12(14)17(19)20/h2-8,18H,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol?
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol has a molecular weight of 311.70 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol is sourced from PubChem (CID 107717355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).