1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol

C14H12ClNO4 — CID 107717274

IUPAC1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3
InChIKeyXXSSVNHQAUWWIQ-UHFFFAOYSA-N
MW293.71 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol

1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol (PubChem CID 107717274) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
PubChem CID107717274
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
SMILESCC(O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12ClNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3
InChIKeyXXSSVNHQAUWWIQ-UHFFFAOYSA-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

1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 107717322
(1S)-1-[2-(2-chloro-6-nitrophenoxy)-5-fluorophenyl]ethanol
CID 107717355
(1S)-1-[3-chloro-4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831920
(1S)-1-[4-(5-chloro-2-nitrophenoxy)phenyl]ethanol
CID 63374746
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
1-[5-(2-chloro-6-nitrophenoxy)-2-pyridinyl]propan-1-one
CID 107717066
(4-chlorophenyl) 4-(2-chloro-6-nitrophenoxy)benzenesulfonate
CID 2797610
1-[4-(2-chloro-6-nitrophenoxy)-3-fluorophenyl]ethanamine
CID 107717151
(1S)-1-[6-(2-chloro-6-nitrophenoxy)-3-pyridinyl]ethanamine
CID 107717162
methyl 2-(2-chloro-6-nitrophenoxy)propanoate
CID 107716272
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
CID 63374618

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol?
The IUPAC name of 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol (CID 107717274) is 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol.
What is the SMILES notation for 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol?
The canonical SMILES for 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol is CC(O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol?
The InChIKey is XXSSVNHQAUWWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-9(17)10-5-7-11(8-6-10)20-14-12(15)3-2-4-13(14)16(18)19/h2-9,17H,1H3.
What are the key properties of 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol?
1-[4-(2-chloro-6-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 1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol is sourced from PubChem (CID 107717274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).