[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone

C22H18FNO3 — CID 90959939

IUPAC[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1Cc1ccccc1
InChIInChI=1S/C22H18FNO3/c23-18-9-6-16(7-10-18)22(26)19-11-8-17(13-24-27)20(21(19)14-25)12-15-4-2-1-3-5-15/h1-11,25H,12-14H2
InChIKeyJCPOHUGFIHWUJG-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.41
Rot. Bonds7

About [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone

[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone (PubChem CID 90959939) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone
PubChem CID90959939
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Name[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone
SMILESO=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1Cc1ccccc1
InChIInChI=1S/C22H18FNO3/c23-18-9-6-16(7-10-18)22(26)19-11-8-17(13-24-27)20(21(19)14-25)12-15-4-2-1-3-5-15/h1-11,25H,12-14H2
InChIKeyJCPOHUGFIHWUJG-UHFFFAOYSA-N
XLogP4.41
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone (CID 90959939) is [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone is O=NCc1ccc(C(=O)c2ccc(F)cc2)c(CO)c1Cc1ccccc1.
What is the InChIKey of [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone?
The InChIKey is JCPOHUGFIHWUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c23-18-9-6-16(7-10-18)22(26)19-11-8-17(13-24-27)20(21(19)14-25)12-15-4-2-1-3-5-15/h1-11,25H,12-14H2.
What are the key properties of [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone?
[3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone has a molecular weight of 363.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-benzyl-2-(hydroxymethyl)-4-(nitrosomethyl)phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 90959939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).