[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol

C15H14FNO2 — CID 89191350

IUPAC[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol
SMILESO=NC(O)c1ccc(CCc2ccccc2)cc1F
InChIInChI=1S/C15H14FNO2/c16-14-10-12(8-9-13(14)15(18)17-19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15,18H,6-7H2
InChIKeyXEORDQLEOHIANI-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.37
Rot. Bonds5

About [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol

[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol (PubChem CID 89191350) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol.

Molecular Properties

Compound Name[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol
PubChem CID89191350
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol
SMILESO=NC(O)c1ccc(CCc2ccccc2)cc1F
InChIInChI=1S/C15H14FNO2/c16-14-10-12(8-9-13(14)15(18)17-19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15,18H,6-7H2
InChIKeyXEORDQLEOHIANI-UHFFFAOYSA-N
XLogP3.37
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol?
The IUPAC name of [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol (CID 89191350) is [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol.
What is the SMILES notation for [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol?
The canonical SMILES for [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol is O=NC(O)c1ccc(CCc2ccccc2)cc1F.
What is the InChIKey of [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol?
The InChIKey is XEORDQLEOHIANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-14-10-12(8-9-13(14)15(18)17-19)7-6-11-4-2-1-3-5-11/h1-5,8-10,15,18H,6-7H2.
What are the key properties of [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol?
[2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol has a molecular weight of 259.28 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(2-phenylethyl)phenyl]-nitrosomethanol is sourced from PubChem (CID 89191350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).