(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol

C15H14ClNO4 — CID 79557153

IUPAC(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClNO4/c1-10(18)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyFXFVIVPWMZOWAS-SNVBAGLBSA-N
MW307.73 g/mol
LogP3.88
Rot. Bonds5

About (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol

(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol (PubChem CID 79557153) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
PubChem CID79557153
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H14ClNO4/c1-10(18)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyFXFVIVPWMZOWAS-SNVBAGLBSA-N
XLogP3.88
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.88
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 (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]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

4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
(1S)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanamine
CID 79555825
1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanone
CID 79211794
(1R)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364799
1-[2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 114850092
(1S)-1-[4-fluoro-2-[(2-nitrophenyl)methoxy]phenyl]ethanol
CID 63366105
1-[2-[2-(2-nitrophenyl)ethoxy]phenyl]ethanol
CID 63062121
1-[2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 43503886
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333
3-[(5-chloro-2-nitrophenyl)methoxy]phenol
CID 79579722
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-4-chloro-1-nitrobenzene
CID 79557676
(1R)-1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]ethanol
CID 104890071

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol (CID 79557153) is (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol is C[C@@H](O)c1ccccc1OCc1cc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol?
The InChIKey is FXFVIVPWMZOWAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-10(18)13-4-2-3-5-15(13)21-9-11-8-12(16)6-7-14(11)17(19)20/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol?
(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol has a molecular weight of 307.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 79557153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).