[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol

C21H19NO2 — CID 145235495

IUPAC[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
SMILESO=NC(O)c1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c23-21(22-24)19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20-21,23H,15H2
InChIKeyLXLIISMGXNUQSI-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.82
Rot. Bonds6

About [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol

[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol (PubChem CID 145235495) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol.

Molecular Properties

Compound Name[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
PubChem CID145235495
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol
SMILESO=NC(O)c1ccc(C(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2/c23-21(22-24)19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20-21,23H,15H2
InChIKeyLXLIISMGXNUQSI-UHFFFAOYSA-N
XLogP4.82
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol?
The IUPAC name of [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol (CID 145235495) is [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol.
What is the SMILES notation for [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol?
The canonical SMILES for [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol is O=NC(O)c1ccc(C(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol?
The InChIKey is LXLIISMGXNUQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c23-21(22-24)19-13-11-18(12-14-19)20(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-14,20-21,23H,15H2.
What are the key properties of [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol?
[4-(1,2-diphenylethyl)phenyl]-nitrosomethanol has a molecular weight of 317.39 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2-diphenylethyl)phenyl]-nitrosomethanol is sourced from PubChem (CID 145235495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).