naphthalen-2-ol;nitrobenzene

C16H13NO3 — CID 163774452

IUPACnaphthalen-2-ol;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H5NO2/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7(9)6-4-2-1-3-5-6/h1-7,11H;1-5H
InChIKeyMJEXVFUCBPKOSN-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.14
Rot. Bonds1

About naphthalen-2-ol;nitrobenzene

naphthalen-2-ol;nitrobenzene (PubChem CID 163774452) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is naphthalen-2-ol;nitrobenzene.

Molecular Properties

Compound Namenaphthalen-2-ol;nitrobenzene
PubChem CID163774452
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namenaphthalen-2-ol;nitrobenzene
SMILESO=[N+]([O-])c1ccccc1.Oc1ccc2ccccc2c1
InChIInChI=1S/C10H8O.C6H5NO2/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7(9)6-4-2-1-3-5-6/h1-7,11H;1-5H
InChIKeyMJEXVFUCBPKOSN-UHFFFAOYSA-N
XLogP4.14
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze naphthalen-2-ol;nitrobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-2-ol;4-nitroaniline
CID 160761253
2-amino-5-nitrophenol;naphthalen-2-ol
CID 23314581
2-chloro-4-nitroaniline;naphthalen-2-ol
CID 70601980
naphthalen-2-ol
CID 71750931
CID 69280188
CID 69280188
ethane;naphthalen-2-ol
CID 91107047
carbonic acid;nitrobenzene
CID 68662598
nitrobenzene;sulfanol
CID 174553859
carbonic acid;nitrobenzene
CID 158100196
azane;nitrobenzene
CID 23197461
arsane;nitrobenzene
CID 174282180
benzene;iron;nitrobenzene
CID 174446919

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ol;nitrobenzene?
The IUPAC name of naphthalen-2-ol;nitrobenzene (CID 163774452) is naphthalen-2-ol;nitrobenzene.
What is the SMILES notation for naphthalen-2-ol;nitrobenzene?
The canonical SMILES for naphthalen-2-ol;nitrobenzene is O=[N+]([O-])c1ccccc1.Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-ol;nitrobenzene?
The InChIKey is MJEXVFUCBPKOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O.C6H5NO2/c11-10-6-5-8-3-1-2-4-9(8)7-10;8-7(9)6-4-2-1-3-5-6/h1-7,11H;1-5H.
What are the key properties of naphthalen-2-ol;nitrobenzene?
naphthalen-2-ol;nitrobenzene has a molecular weight of 267.28 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ol;nitrobenzene is sourced from PubChem (CID 163774452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).