3-[(5-chloro-2-nitrophenyl)methoxy]phenol

C13H10ClNO4 — CID 79579722

IUPAC3-[(5-chloro-2-nitrophenyl)methoxy]phenol
SMILESO=[N+]([O-])c1ccc(Cl)cc1COc1cccc(O)c1
InChIInChI=1S/C13H10ClNO4/c14-10-4-5-13(15(17)18)9(6-10)8-19-12-3-1-2-11(16)7-12/h1-7,16H,8H2
InChIKeySYPMYYWUCCEGRR-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.53
Rot. Bonds4

About 3-[(5-chloro-2-nitrophenyl)methoxy]phenol

3-[(5-chloro-2-nitrophenyl)methoxy]phenol (PubChem CID 79579722) has the molecular formula C13H10ClNO4 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-[(5-chloro-2-nitrophenyl)methoxy]phenol.

Molecular Properties

Compound Name3-[(5-chloro-2-nitrophenyl)methoxy]phenol
PubChem CID79579722
Molecular FormulaC13H10ClNO4
Molecular Weight279.68 g/mol
Exact Mass279.03
IUPAC Name3-[(5-chloro-2-nitrophenyl)methoxy]phenol
SMILESO=[N+]([O-])c1ccc(Cl)cc1COc1cccc(O)c1
InChIInChI=1S/C13H10ClNO4/c14-10-4-5-13(15(17)18)9(6-10)8-19-12-3-1-2-11(16)7-12/h1-7,16H,8H2
InChIKeySYPMYYWUCCEGRR-UHFFFAOYSA-N
XLogP3.53
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.53
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

3-[(5-chloro-2-nitrophenyl)methoxy]aniline
CID 79579913
[4-[(5-chloro-2-nitrophenyl)methoxy]phenyl]methanol
CID 79214399
2-chloro-4-[(5-chloro-2-nitrophenyl)methoxy]benzonitrile
CID 102724066
1-chloro-3-(chloromethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]benzene
CID 115956577
1-(bromomethyl)-2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzene
CID 115956808
1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanone
CID 79211794
2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955758
(1R)-1-[2-[(5-chloro-2-nitrophenyl)methoxy]phenyl]ethanol
CID 79557153
4-chloro-1-nitro-2-[(2-propan-2-ylphenoxy)methyl]benzene
CID 79556511
(5-chloro-2-nitrophenyl)methoxy-trimethylsilane
CID 91738137
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
3-chloro-4-[(3-hydroxyphenoxy)methyl]phenol
CID 117219618

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-nitrophenyl)methoxy]phenol?
The IUPAC name of 3-[(5-chloro-2-nitrophenyl)methoxy]phenol (CID 79579722) is 3-[(5-chloro-2-nitrophenyl)methoxy]phenol.
What is the SMILES notation for 3-[(5-chloro-2-nitrophenyl)methoxy]phenol?
The canonical SMILES for 3-[(5-chloro-2-nitrophenyl)methoxy]phenol is O=[N+]([O-])c1ccc(Cl)cc1COc1cccc(O)c1.
What is the InChIKey of 3-[(5-chloro-2-nitrophenyl)methoxy]phenol?
The InChIKey is SYPMYYWUCCEGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO4/c14-10-4-5-13(15(17)18)9(6-10)8-19-12-3-1-2-11(16)7-12/h1-7,16H,8H2.
What are the key properties of 3-[(5-chloro-2-nitrophenyl)methoxy]phenol?
3-[(5-chloro-2-nitrophenyl)methoxy]phenol has a molecular weight of 279.68 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-nitrophenyl)methoxy]phenol is sourced from PubChem (CID 79579722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).