2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol

C20H13NO3 — CID 6514209

IUPAC2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2
InChIInChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11+
InChIKeyPEYKRJBXACUOOB-WOJGMQOQSA-N
MW315.33 g/mol
LogP4.87
Rot. Bonds2

About 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol

2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol (PubChem CID 6514209) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol.

Molecular Properties

Compound Name2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol
PubChem CID6514209
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2
InChIInChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11+
InChIKeyPEYKRJBXACUOOB-WOJGMQOQSA-N
XLogP4.87
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.87
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

7-Nitro-9H-fluoren-2-ol
CID 23119
4-Hydroxy-4'-nitrobiphenyl
CID 138078
2-[(2-Nitrofluoren-9-ylidene)methyl]phenol
CID 349156
2-Cyclohexyl-4-nitrophenol
CID 80481
4-Nitro-2,6-diphenylphenol
CID 625985
2-(4-Nitro-benzyl)-naphthalen-1-ol
CID 44347691
2-[(Z)-(9H-fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenol
CID 135497970
2-(Fluoren-9-ylidene-hydrazonomethyl)-6-nitro-phenol
CID 135498046
2-Biphenylol, 5-nitro-
CID 20278
2-[(2-Hydroxy-5-methyl-phenyl)-(4-nitrophenyl)methyl]-4-methyl-phenol
CID 389721
2-Benzyl-4-nitrophenol
CID 7131473
4-Nitro-8-fluoranthenol
CID 146573

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol?
The IUPAC name of 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol (CID 6514209) is 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol.
What is the SMILES notation for 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol?
The canonical SMILES for 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol is O=[N+]([O-])c1ccc2c(c1)/C(=C/c1ccccc1O)c1ccccc1-2.
What is the InChIKey of 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol?
The InChIKey is PEYKRJBXACUOOB-WOJGMQOQSA-N. The full InChI is InChI=1S/C20H13NO3/c22-20-8-4-1-5-13(20)11-18-16-7-3-2-6-15(16)17-10-9-14(21(23)24)12-19(17)18/h1-12,22H/b18-11+.
What are the key properties of 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol?
2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol has a molecular weight of 315.33 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenol is sourced from PubChem (CID 6514209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).