(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol

C14H12ClNO4 — CID 63374618

IUPAC(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClNO4/c1-9(17)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m1/s1
InChIKeyCDEYMMRJINKZGU-SECBINFHSA-N
MW293.71 g/mol
LogP4.09
Rot. Bonds4

About (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol

(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol (PubChem CID 63374618) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
PubChem CID63374618
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
SMILESC[C@@H](O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C14H12ClNO4/c1-9(17)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m1/s1
InChIKeyCDEYMMRJINKZGU-SECBINFHSA-N
XLogP4.09
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 54.09
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'}

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Related Compounds

(1S)-1-[3-chloro-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831920
(1R)-1-[3-chloro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 63540954
1-[3-chloro-4-(2-iodophenoxy)phenyl]ethanol
CID 62910643
(1S)-1-[4-(4-chloro-2-nitrophenoxy)-3-fluorophenyl]ethanol
CID 78938627
(1S)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 78941827
(1R)-1-[5-fluoro-2-(2-nitrophenoxy)phenyl]ethanol
CID 63374530
1-[4-(2-chloro-4-nitrophenoxy)-3-fluorophenyl]ethanol
CID 61030672
(1S)-1-[4-(4-chloro-3-methylphenoxy)-3-nitrophenyl]ethanol
CID 78938640
3-chloro-4-(2-nitrophenoxy)benzonitrile
CID 11708872
(1R)-1-[3-fluoro-4-(5-fluoro-2-nitrophenoxy)phenyl]ethanol
CID 63374590
(1R)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanol
CID 63374748
1-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanol
CID 62912366

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol (CID 63374618) is (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol is C[C@@H](O)c1ccc(Oc2ccccc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol?
The InChIKey is CDEYMMRJINKZGU-SECBINFHSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-9(17)10-6-7-13(11(15)8-10)20-14-5-3-2-4-12(14)16(18)19/h2-9,17H,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol?
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol has a molecular weight of 293.71 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 63374618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).