methanol;(2-nitrophenyl)methanol

C8H11NO4 — CID 70046885

IUPACmethanol;(2-nitrophenyl)methanol
SMILESCO.O=[N+]([O-])c1ccccc1CO
InChIInChI=1S/C7H7NO3.CH4O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2/h1-4,9H,5H2;2H,1H3
InChIKeyVHMPCWUVPLOJPZ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.70
Rot. Bonds2

About methanol;(2-nitrophenyl)methanol

methanol;(2-nitrophenyl)methanol (PubChem CID 70046885) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methanol;(2-nitrophenyl)methanol.

Molecular Properties

Compound Namemethanol;(2-nitrophenyl)methanol
PubChem CID70046885
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethanol;(2-nitrophenyl)methanol
SMILESCO.O=[N+]([O-])c1ccccc1CO
InChIInChI=1S/C7H7NO3.CH4O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2/h1-4,9H,5H2;2H,1H3
InChIKeyVHMPCWUVPLOJPZ-UHFFFAOYSA-N
XLogP0.70
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
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-nitrophenyl)methanol
CID 11923
[2-(2-nitrophenoxy)phenyl]methanol
CID 54915252
(2-nitrophenyl)methanol;3-[(2-nitrophenyl)methoxy]propanal
CID 173315018
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
methyl 2-(2-nitrophenyl)acetate
CID 520464
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
methanol;2-nitrophenol
CID 157303764
(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
1-methoxy-3-(2-nitrophenyl)propan-2-one
CID 63198880

Frequently Asked Questions

What is the IUPAC name of methanol;(2-nitrophenyl)methanol?
The IUPAC name of methanol;(2-nitrophenyl)methanol (CID 70046885) is methanol;(2-nitrophenyl)methanol.
What is the SMILES notation for methanol;(2-nitrophenyl)methanol?
The canonical SMILES for methanol;(2-nitrophenyl)methanol is CO.O=[N+]([O-])c1ccccc1CO.
What is the InChIKey of methanol;(2-nitrophenyl)methanol?
The InChIKey is VHMPCWUVPLOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.CH4O/c9-5-6-3-1-2-4-7(6)8(10)11;1-2/h1-4,9H,5H2;2H,1H3.
What are the key properties of methanol;(2-nitrophenyl)methanol?
methanol;(2-nitrophenyl)methanol has a molecular weight of 185.18 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(2-nitrophenyl)methanol is sourced from PubChem (CID 70046885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).