2-[(2-nitrophenyl)methyl]phenol

C13H11NO3 — CID 22062598

IUPAC2-[(2-nitrophenyl)methyl]phenol
SMILESO=[N+]([O-])c1ccccc1Cc1ccccc1O
InChIInChI=1S/C13H11NO3/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h1-8,15H,9H2
InChIKeyHPNSOVXAEBFXNG-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.89
Rot. Bonds3

About 2-[(2-nitrophenyl)methyl]phenol

2-[(2-nitrophenyl)methyl]phenol (PubChem CID 22062598) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(2-nitrophenyl)methyl]phenol
PubChem CID22062598
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name2-[(2-nitrophenyl)methyl]phenol
SMILESO=[N+]([O-])c1ccccc1Cc1ccccc1O
InChIInChI=1S/C13H11NO3/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h1-8,15H,9H2
InChIKeyHPNSOVXAEBFXNG-UHFFFAOYSA-N
XLogP2.89
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.89
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

(2-nitrophenyl)methanol
CID 11923
2-[[2-(2-nitrophenyl)ethylamino]methyl]phenol
CID 115656030
2-(2-hydroxyphenyl)-N-[(2-nitrophenyl)methyl]acetamide
CID 24873981
methanol;(2-nitrophenyl)methanol
CID 70046885
disodium;hydride;2-nitrophenol
CID 174745512
methanol;2-nitrophenol
CID 157303764
2-[3-[(2-nitrophenyl)methyl]phenyl]acetic acid
CID 71231546
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)methyl]phenol?
The IUPAC name of 2-[(2-nitrophenyl)methyl]phenol (CID 22062598) is 2-[(2-nitrophenyl)methyl]phenol.
What is the SMILES notation for 2-[(2-nitrophenyl)methyl]phenol?
The canonical SMILES for 2-[(2-nitrophenyl)methyl]phenol is O=[N+]([O-])c1ccccc1Cc1ccccc1O.
What is the InChIKey of 2-[(2-nitrophenyl)methyl]phenol?
The InChIKey is HPNSOVXAEBFXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13-8-4-2-6-11(13)9-10-5-1-3-7-12(10)14(16)17/h1-8,15H,9H2.
What are the key properties of 2-[(2-nitrophenyl)methyl]phenol?
2-[(2-nitrophenyl)methyl]phenol has a molecular weight of 229.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)methyl]phenol is sourced from PubChem (CID 22062598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).