6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol

C16H11NO4 — CID 71089393

IUPAC6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
SMILESO=[N+]([O-])c1cc(-c2ccc3cc(O)ccc3c2)ccc1O
InChIInChI=1S/C16H11NO4/c18-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-16(19)15(9-13)17(20)21/h1-9,18-19H
InChIKeyIRWDNADCLMMXGP-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.83
Rot. Bonds2

About 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol

6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol (PubChem CID 71089393) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
PubChem CID71089393
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
SMILESO=[N+]([O-])c1cc(-c2ccc3cc(O)ccc3c2)ccc1O
InChIInChI=1S/C16H11NO4/c18-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-16(19)15(9-13)17(20)21/h1-9,18-19H
InChIKeyIRWDNADCLMMXGP-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

2-nitro-4-phenylphenol
CID 13447
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
ethane;2-nitro-4-phenylphenol
CID 142062484
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
2-nitrobenzene-1,3-diol;2-nitrobenzene-1,4-diol
CID 162059656
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
2-nitro-4-[4-(trifluoromethoxy)phenyl]phenol
CID 53221716
azane;2,4-dinitrophenol;hydrate
CID 174664401
3-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221609
6-(4-hydroxyphenyl)naphthalen-2-ol;methane
CID 69476314
naphthalen-2-ol;nitrobenzene
CID 163774452

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol (CID 71089393) is 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol is O=[N+]([O-])c1cc(-c2ccc3cc(O)ccc3c2)ccc1O.
What is the InChIKey of 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol?
The InChIKey is IRWDNADCLMMXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-16(19)15(9-13)17(20)21/h1-9,18-19H.
What are the key properties of 6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol?
6-(4-hydroxy-3-nitrophenyl)naphthalen-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-hydroxy-3-nitrophenyl)naphthalen-2-ol is sourced from PubChem (CID 71089393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).