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

C13H10FNO2 — CID 91009323

IUPAC2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C13H10FNO2/c14-12-7-11(5-6-13(12)16)10-3-1-9(2-4-10)8-15-17/h1-7,16H,8H2
InChIKeyYHBAGPRLAQIINE-UHFFFAOYSA-N
MW231.23 g/mol
LogP3.46
Rot. Bonds3

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

2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol (PubChem CID 91009323) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol
PubChem CID91009323
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol
SMILESO=NCc1ccc(-c2ccc(O)c(F)c2)cc1
InChIInChI=1S/C13H10FNO2/c14-12-7-11(5-6-13(12)16)10-3-1-9(2-4-10)8-15-17/h1-7,16H,8H2
InChIKeyYHBAGPRLAQIINE-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 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol?
The IUPAC name of 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol (CID 91009323) is 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol.
What is the SMILES notation for 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol?
The canonical SMILES for 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol is O=NCc1ccc(-c2ccc(O)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol?
The InChIKey is YHBAGPRLAQIINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-12-7-11(5-6-13(12)16)10-3-1-9(2-4-10)8-15-17/h1-7,16H,8H2.
What are the key properties of 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol?
2-fluoro-4-[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 2-fluoro-4-[4-(nitrosomethyl)phenyl]phenol is sourced from PubChem (CID 91009323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).