3-naphthalen-1-yl-4-nitrophenol

C16H11NO3 — CID 57178069

IUPAC3-naphthalen-1-yl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1-c1cccc2ccccc12
InChIInChI=1S/C16H11NO3/c18-12-8-9-16(17(19)20)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H
InChIKeyXNROMIDQZNNHSV-UHFFFAOYSA-N
MW265.27 g/mol
LogP4.12
Rot. Bonds2

About 3-naphthalen-1-yl-4-nitrophenol

3-naphthalen-1-yl-4-nitrophenol (PubChem CID 57178069) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-naphthalen-1-yl-4-nitrophenol.

Molecular Properties

Compound Name3-naphthalen-1-yl-4-nitrophenol
PubChem CID57178069
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3-naphthalen-1-yl-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(O)cc1-c1cccc2ccccc12
InChIInChI=1S/C16H11NO3/c18-12-8-9-16(17(19)20)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H
InChIKeyXNROMIDQZNNHSV-UHFFFAOYSA-N
XLogP4.12
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 54.12
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'}

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Related Compounds

1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
9-(3-naphthalen-1-yl-4-nitrophenyl)carbazole
CID 121299787
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914
1-nitronaphthalene;hydrate
CID 174470741
3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
CID 10640969
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
3-(4-methylphenyl)-4-nitrophenol
CID 45098062
2-naphthalen-1-yl-3-nitrothiophene
CID 46210339
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
6,12-bis(5-bromo-2-nitrophenyl)chrysene
CID 87414674
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
formonitrile;1-nitronaphthalene
CID 174387830

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-4-nitrophenol?
The IUPAC name of 3-naphthalen-1-yl-4-nitrophenol (CID 57178069) is 3-naphthalen-1-yl-4-nitrophenol.
What is the SMILES notation for 3-naphthalen-1-yl-4-nitrophenol?
The canonical SMILES for 3-naphthalen-1-yl-4-nitrophenol is O=[N+]([O-])c1ccc(O)cc1-c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-yl-4-nitrophenol?
The InChIKey is XNROMIDQZNNHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-12-8-9-16(17(19)20)15(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,18H.
What are the key properties of 3-naphthalen-1-yl-4-nitrophenol?
3-naphthalen-1-yl-4-nitrophenol has a molecular weight of 265.27 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-4-nitrophenol is sourced from PubChem (CID 57178069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).