3-naphthalen-1-yl-5-(3-nitrophenyl)phenol

C22H15NO3 — CID 10640969

IUPAC3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
SMILESO=[N+]([O-])c1cccc(-c2cc(O)cc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C22H15NO3/c24-20-13-17(16-7-3-8-19(12-16)23(25)26)11-18(14-20)22-10-4-6-15-5-1-2-9-21(15)22/h1-14,24H
InChIKeyRQMHFDZJGMBTGX-UHFFFAOYSA-N
MW341.37 g/mol
LogP5.79
Rot. Bonds3

About 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol

3-naphthalen-1-yl-5-(3-nitrophenyl)phenol (PubChem CID 10640969) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol.

Molecular Properties

Compound Name3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
PubChem CID10640969
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name3-naphthalen-1-yl-5-(3-nitrophenyl)phenol
SMILESO=[N+]([O-])c1cccc(-c2cc(O)cc(-c3cccc4ccccc34)c2)c1
InChIInChI=1S/C22H15NO3/c24-20-13-17(16-7-3-8-19(12-16)23(25)26)11-18(14-20)22-10-4-6-15-5-1-2-9-21(15)22/h1-14,24H
InChIKeyRQMHFDZJGMBTGX-UHFFFAOYSA-N
XLogP5.79
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.37
LogP ≤ 55.79
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-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
[2-(3-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 46928614
3-naphthalen-1-yl-4-nitrophenol
CID 57178069
2-naphthalen-1-yl-5-nitroaniline
CID 141327222
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
3-(3-hydroxy-5-nitrophenyl)-5-nitrophenol
CID 139845481
[2-(2-hydroxynaphthalen-1-yl)-3-(3-nitrophenyl)phenyl]urea
CID 156613284
6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
formic acid;1-nitro-3-phenylbenzene
CID 158057338

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol?
The IUPAC name of 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol (CID 10640969) is 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol.
What is the SMILES notation for 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol?
The canonical SMILES for 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol is O=[N+]([O-])c1cccc(-c2cc(O)cc(-c3cccc4ccccc34)c2)c1.
What is the InChIKey of 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol?
The InChIKey is RQMHFDZJGMBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-20-13-17(16-7-3-8-19(12-16)23(25)26)11-18(14-20)22-10-4-6-15-5-1-2-9-21(15)22/h1-14,24H.
What are the key properties of 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol?
3-naphthalen-1-yl-5-(3-nitrophenyl)phenol has a molecular weight of 341.37 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-5-(3-nitrophenyl)phenol is sourced from PubChem (CID 10640969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).