4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol

C13H10FNO2 — CID 91416458

IUPAC4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol
SMILESO=NCc1ccc(-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C13H10FNO2/c14-13-7-9(8-15-17)1-6-12(13)10-2-4-11(16)5-3-10/h1-7,16H,8H2
InChIKeyKHVPRKXRVBWEIN-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.46
Rot. Bonds3

About 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol

4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol (PubChem CID 91416458) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol.

Molecular Properties

Compound Name4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol
PubChem CID91416458
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol
SMILESO=NCc1ccc(-c2ccc(O)cc2)c(F)c1
InChIInChI=1S/C13H10FNO2/c14-13-7-9(8-15-17)1-6-12(13)10-2-4-11(16)5-3-10/h1-7,16H,8H2
InChIKeyKHVPRKXRVBWEIN-UHFFFAOYSA-N
XLogP3.46
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol?
The IUPAC name of 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol (CID 91416458) is 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol.
What is the SMILES notation for 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol?
The canonical SMILES for 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol is O=NCc1ccc(-c2ccc(O)cc2)c(F)c1.
What is the InChIKey of 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol?
The InChIKey is KHVPRKXRVBWEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-13-7-9(8-15-17)1-6-12(13)10-2-4-11(16)5-3-10/h1-7,16H,8H2.
What are the key properties of 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol?
4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol has a molecular weight of 231.23 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(nitrosomethyl)phenyl]phenol is sourced from PubChem (CID 91416458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).