6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol

C16H11NO4 — CID 10308268

IUPAC6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12
InChIInChI=1S/C16H11NO4/c18-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(19)16(14)17(20)21/h1-9,18-19H
InChIKeyMYVOVZDBAWARDP-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.83
Rot. Bonds2

About 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol

6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol (PubChem CID 10308268) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol
PubChem CID10308268
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol
SMILESO=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12
InChIInChI=1S/C16H11NO4/c18-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(19)16(14)17(20)21/h1-9,18-19H
InChIKeyMYVOVZDBAWARDP-UHFFFAOYSA-N
XLogP3.83
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylazo)-2-naphthol
CID 13297
Toluidine Red
CID 17047
1-Nitroso-2-naphthol
CID 8580
Fast Orange
CID 18981
3-Hydroxy-1-nitropyrene
CID 104936
6-Hydroxy-1-nitropyrene
CID 104988
8-Hydroxy-1-nitropyrene
CID 105022
1-Nitro-2-naphthol
CID 11075
3-Nitro(1,1'-biphenyl)-4-ol
CID 13447
Sudan II
CID 18386
1-(2-Hydroxyphenylazo)-2-naphthol
CID 173398
4-Nitroestra-1,3,5(10)-triene-3,17beta-diol
CID 233494

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol (CID 10308268) is 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol is O=[N+]([O-])c1c(O)ccc2cc(-c3ccc(O)cc3)ccc12.
What is the InChIKey of 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol?
The InChIKey is MYVOVZDBAWARDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(19)16(14)17(20)21/h1-9,18-19H.
What are the key properties of 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol?
6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol has a molecular weight of 281.27 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-1-nitronaphthalen-2-ol is sourced from PubChem (CID 10308268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).