dideuterio-(4-nitrophenyl)methanol

C7H7NO3 — CID 10241023

IUPACdideuterio-(4-nitrophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2/i5D2
InChIKeyJKTYGPATCNUWKN-BFWBPSQCSA-N
MW155.15 g/mol
LogP1.09
Rot. Bonds2

About dideuterio-(4-nitrophenyl)methanol

dideuterio-(4-nitrophenyl)methanol (PubChem CID 10241023) has the molecular formula C7H7NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is dideuterio-(4-nitrophenyl)methanol.

Molecular Properties

Compound Namedideuterio-(4-nitrophenyl)methanol
PubChem CID10241023
Molecular FormulaC7H7NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namedideuterio-(4-nitrophenyl)methanol
SMILES[2H]C([2H])(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2/i5D2
InChIKeyJKTYGPATCNUWKN-BFWBPSQCSA-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 ≤ 500155.15
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

[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
hydron;2-(4-nitrophenyl)ethanol
CID 131851380
potassium 2-(4-nitrophenyl)acetate
CID 15261201
ethane;1-nitro-4-propylbenzene
CID 123575523
1-(hydroxysulfanylmethyl)-4-nitrobenzene
CID 163691163
[4-[(4-nitrophenyl)methylsulfanylmethyl]phenyl]methanol
CID 83518630
[4-(4-nitrophenyl)sulfanylphenyl]methanol
CID 63835646
1,4-bis[(4-nitrophenyl)methylsulfanylmethyl]benzene
CID 10365975
1-ethyl-4-nitrobenzene;tungsten
CID 58858101
azane;1-ethyl-4-nitrobenzene
CID 19043225
N-[(4-nitrophenyl)methyl]hydroxylamine;hydrochloride
CID 86662371
3-(4-nitrophenyl)propanoate
CID 6923582

Frequently Asked Questions

What is the IUPAC name of dideuterio-(4-nitrophenyl)methanol?
The IUPAC name of dideuterio-(4-nitrophenyl)methanol (CID 10241023) is dideuterio-(4-nitrophenyl)methanol.
What is the SMILES notation for dideuterio-(4-nitrophenyl)methanol?
The canonical SMILES for dideuterio-(4-nitrophenyl)methanol is [2H]C([2H])(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of dideuterio-(4-nitrophenyl)methanol?
The InChIKey is JKTYGPATCNUWKN-BFWBPSQCSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2/i5D2.
What are the key properties of dideuterio-(4-nitrophenyl)methanol?
dideuterio-(4-nitrophenyl)methanol has a molecular weight of 155.15 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 dideuterio-(4-nitrophenyl)methanol is sourced from PubChem (CID 10241023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).