9-nitroso-9-phenylnonan-2-ol

C15H23NO2 — CID 57211090

IUPAC9-nitroso-9-phenylnonan-2-ol
SMILESCC(O)CCCCCCC(N=O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(16-18)14-10-6-4-7-11-14/h4,6-7,10-11,13,15,17H,2-3,5,8-9,12H2,1H3
InChIKeyAGRNNKBEAWJKIP-UHFFFAOYSA-N
MW249.35 g/mol
LogP4.22
Rot. Bonds9

About 9-nitroso-9-phenylnonan-2-ol

9-nitroso-9-phenylnonan-2-ol (PubChem CID 57211090) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 9-nitroso-9-phenylnonan-2-ol.

Molecular Properties

Compound Name9-nitroso-9-phenylnonan-2-ol
PubChem CID57211090
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name9-nitroso-9-phenylnonan-2-ol
SMILESCC(O)CCCCCCC(N=O)c1ccccc1
InChIInChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(16-18)14-10-6-4-7-11-14/h4,6-7,10-11,13,15,17H,2-3,5,8-9,12H2,1H3
InChIKeyAGRNNKBEAWJKIP-UHFFFAOYSA-N
XLogP4.22
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-nitroso-1-phenyldecan-3-ol
CID 56975349
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
(4R)-1-phenylpentane-1,4-diol
CID 13204353
2,14-diphenylpentadecan-8-ol
CID 71175182
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
(1R)-1-phenyloctan-1-ol
CID 12794259
(2R)-5-amino-5-phenylpentan-2-ol
CID 68757474
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
1-isothiocyanatoundecylbenzene
CID 118524912
12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279
5-[(2-methoxy-1-phenylethyl)amino]pentan-2-ol
CID 106121310

Frequently Asked Questions

What is the IUPAC name of 9-nitroso-9-phenylnonan-2-ol?
The IUPAC name of 9-nitroso-9-phenylnonan-2-ol (CID 57211090) is 9-nitroso-9-phenylnonan-2-ol.
What is the SMILES notation for 9-nitroso-9-phenylnonan-2-ol?
The canonical SMILES for 9-nitroso-9-phenylnonan-2-ol is CC(O)CCCCCCC(N=O)c1ccccc1.
What is the InChIKey of 9-nitroso-9-phenylnonan-2-ol?
The InChIKey is AGRNNKBEAWJKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(17)9-5-2-3-8-12-15(16-18)14-10-6-4-7-11-14/h4,6-7,10-11,13,15,17H,2-3,5,8-9,12H2,1H3.
What are the key properties of 9-nitroso-9-phenylnonan-2-ol?
9-nitroso-9-phenylnonan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-nitroso-9-phenylnonan-2-ol is sourced from PubChem (CID 57211090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).