4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol

C13H9ClFNO2 — CID 91393657

IUPAC4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-6,17H,7H2
InChIKeyOGMRKTIBWPBDLH-UHFFFAOYSA-N
MW265.67 g/mol
LogP4.12
Rot. Bonds3

About 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol

4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol (PubChem CID 91393657) has the molecular formula C13H9ClFNO2 and a molecular weight of 265.67 g/mol. Its IUPAC name is 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
PubChem CID91393657
Molecular FormulaC13H9ClFNO2
Molecular Weight265.67 g/mol
Exact Mass265.03
IUPAC Name4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-6,17H,7H2
InChIKeyOGMRKTIBWPBDLH-UHFFFAOYSA-N
XLogP4.12
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-dichloro-4-[(E)-hydroxyiminomethyl]phenyl]-2-fluorophenol
CID 135407176
3-Chloro-4-(4-hydroxyphenyl)salicylaldoxime
CID 91066436
2-[4-(Aminomethyl)-2-chloranyl-phenyl]phenol
CID 132281887
[3-Chloranyl-4-(5-methyl-2-oxidanyl-phenyl)phenyl]methylazanium
CID 134812594
[3-Chloro-4-(2-hydroxy-5-methylphenyl)phenyl]methylazanium
CID 137348912
4-(3-Chloro-4-methylphenyl)-2-fluorophenol
CID 53219474
4-[2-Amino-2-(2-chloro-4-fluorophenyl)ethyl]phenol
CID 69477299
4-[3-Chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol
CID 90773839
4-[2,3-Dichloro-4-(nitrosomethyl)phenyl]-2-fluorophenol
CID 90794897
2-Fluoro-4-[4-(nitrosomethyl)phenyl]phenol
CID 91009323
3-Fluoro-4''-hydroxy-1,1''-biphenyl-4-carbaldehyde oxime
CID 91382483
4-[2-Fluoro-4-(nitrosomethyl)phenyl]phenol
CID 91416458

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The IUPAC name of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol (CID 91393657) is 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol.
What is the SMILES notation for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The canonical SMILES for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol is O=NCc1ccc(-c2ccc(O)c(F)c2)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
The InChIKey is OGMRKTIBWPBDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO2/c14-11-5-8(1-2-10(11)7-16-18)9-3-4-13(17)12(15)6-9/h1-6,17H,7H2.
What are the key properties of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol?
4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol has a molecular weight of 265.67 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2-fluorophenol is sourced from PubChem (CID 91393657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).