(2-nitrophenyl)methanol

C7H7NO3 — CID 11923

IUPAC(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1CO
InChIInChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKeyBWRBVBFLFQKBPT-UHFFFAOYSA-N
MW153.14 g/mol
LogP1.09
Rot. Bonds2

About (2-nitrophenyl)methanol

(2-nitrophenyl)methanol (PubChem CID 11923) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is (2-nitrophenyl)methanol.

Molecular Properties

Compound Name(2-nitrophenyl)methanol
PubChem CID11923
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1CO
InChIInChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2
InChIKeyBWRBVBFLFQKBPT-UHFFFAOYSA-N
XLogP1.09
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 51.09
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

methanol;(2-nitrophenyl)methanol
CID 70046885
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
(2-nitrophenyl)methanol;3-[(2-nitrophenyl)methoxy]propanal
CID 173315018
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
(3-nitronaphthalen-2-yl)methanol
CID 4076989
[3-bromo-2-[(2-nitrophenyl)methoxy]phenyl]methanol
CID 61391476
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide
CID 23642561
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
1,2-bis(2-nitrophenyl)ethanone
CID 2750227

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methanol?
The IUPAC name of (2-nitrophenyl)methanol (CID 11923) is (2-nitrophenyl)methanol.
What is the SMILES notation for (2-nitrophenyl)methanol?
The canonical SMILES for (2-nitrophenyl)methanol is O=[N+]([O-])c1ccccc1CO.
What is the InChIKey of (2-nitrophenyl)methanol?
The InChIKey is BWRBVBFLFQKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2.
What are the key properties of (2-nitrophenyl)methanol?
(2-nitrophenyl)methanol has a molecular weight of 153.14 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methanol is sourced from PubChem (CID 11923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).