4-(2-nitrophenyl)sulfanylnaphthalen-1-ol

C16H11NO3S — CID 23239241

IUPAC4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1Sc1ccc(O)c2ccccc12
InChIInChI=1S/C16H11NO3S/c18-14-9-10-15(12-6-2-1-5-11(12)14)21-16-8-4-3-7-13(16)17(19)20/h1-10,18H
InChIKeyJVEURWKPXTWJNW-UHFFFAOYSA-N
MW297.34 g/mol
LogP4.60
Rot. Bonds3

About 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol

4-(2-nitrophenyl)sulfanylnaphthalen-1-ol (PubChem CID 23239241) has the molecular formula C16H11NO3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
PubChem CID23239241
Molecular FormulaC16H11NO3S
Molecular Weight297.34 g/mol
Exact Mass297.05
IUPAC Name4-(2-nitrophenyl)sulfanylnaphthalen-1-ol
SMILESO=[N+]([O-])c1ccccc1Sc1ccc(O)c2ccccc12
InChIInChI=1S/C16H11NO3S/c18-14-9-10-15(12-6-2-1-5-11(12)14)21-16-8-4-3-7-13(16)17(19)20/h1-10,18H
InChIKeyJVEURWKPXTWJNW-UHFFFAOYSA-N
XLogP4.60
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 54.60
H-Bond Donors ≤ 51
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-(4-methyl-2-nitrophenyl)sulfanylphenol
CID 62027442
2-(4-iodo-2-nitrophenyl)sulfanylphenol
CID 66082508
4-[(4-nitro-2-pyridinyl)sulfanyl]naphthalen-1-ol
CID 115945326
2-(4-methylsulfonyl-2-nitrophenyl)sulfanylphenol
CID 62028778
3-(2-hydroxyphenyl)sulfanyl-4-nitrophenol
CID 10659193
(1R)-1-[2-(2-nitrophenyl)sulfanylphenyl]ethanol
CID 55240820
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
5,6-DIHYDROXY-8-(2-NITROPHENYLTHIO)-2-NAPHTHALENESULFONIC ACID, SODIUM SALT
CID 126960681
1-(2,3-dinitrophenyl)sulfanyl-2,3-dinitrobenzene
CID 54456193
4-hydroxy-3-(2-nitrophenyl)sulfanyl-1H-quinolin-2-one
CID 54705774
1-fluoro-2-nitro-3-(2-nitrophenyl)sulfanylbenzene
CID 62690853
3-(2-nitrophenyl)sulfanylpyridine-4-carboxylic acid
CID 114289002

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol?
The IUPAC name of 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol (CID 23239241) is 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol.
What is the SMILES notation for 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol?
The canonical SMILES for 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol is O=[N+]([O-])c1ccccc1Sc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol?
The InChIKey is JVEURWKPXTWJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3S/c18-14-9-10-15(12-6-2-1-5-11(12)14)21-16-8-4-3-7-13(16)17(19)20/h1-10,18H.
What are the key properties of 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol?
4-(2-nitrophenyl)sulfanylnaphthalen-1-ol has a molecular weight of 297.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)sulfanylnaphthalen-1-ol is sourced from PubChem (CID 23239241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).