(3,4-dimethyl-2-nitrophenyl)methanol

C9H11NO3 — CID 130867143

IUPAC(3,4-dimethyl-2-nitrophenyl)methanol
SMILESCc1ccc(CO)c([N+](=O)[O-])c1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(5-11)9(7(6)2)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyQLVRCWNPUKMCGA-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.70
Rot. Bonds2

About (3,4-dimethyl-2-nitrophenyl)methanol

(3,4-dimethyl-2-nitrophenyl)methanol (PubChem CID 130867143) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is (3,4-dimethyl-2-nitrophenyl)methanol.

Molecular Properties

Compound Name(3,4-dimethyl-2-nitrophenyl)methanol
PubChem CID130867143
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name(3,4-dimethyl-2-nitrophenyl)methanol
SMILESCc1ccc(CO)c([N+](=O)[O-])c1C
InChIInChI=1S/C9H11NO3/c1-6-3-4-8(5-11)9(7(6)2)10(12)13/h3-4,11H,5H2,1-2H3
InChIKeyQLVRCWNPUKMCGA-UHFFFAOYSA-N
XLogP1.70
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.70
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

1-(chloromethyl)-2,4-dimethyl-3-nitrobenzene
CID 13265345
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
(2-methyl-5-nitroquinolin-6-yl)methanol
CID 58506618
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
(2,4-difluoro-3-nitrophenyl)methanol
CID 118991228
(4,6-dimethyl-5-nitro-3-pyridinyl)methanol
CID 142530016
(3-bromo-6-methyl-2-nitrophenyl)methanol
CID 130776681
[2-nitro-3,4-bis(trifluoromethyl)phenyl]methanol
CID 134638914
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
1-(chloromethyl)-3-fluoro-4-methyl-2-nitrobenzene
CID 130999829
[3-methyl-4-nitro-2-(trifluoromethyl)phenyl]methanol
CID 131328456

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-nitrophenyl)methanol?
The IUPAC name of (3,4-dimethyl-2-nitrophenyl)methanol (CID 130867143) is (3,4-dimethyl-2-nitrophenyl)methanol.
What is the SMILES notation for (3,4-dimethyl-2-nitrophenyl)methanol?
The canonical SMILES for (3,4-dimethyl-2-nitrophenyl)methanol is Cc1ccc(CO)c([N+](=O)[O-])c1C.
What is the InChIKey of (3,4-dimethyl-2-nitrophenyl)methanol?
The InChIKey is QLVRCWNPUKMCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-8(5-11)9(7(6)2)10(12)13/h3-4,11H,5H2,1-2H3.
What are the key properties of (3,4-dimethyl-2-nitrophenyl)methanol?
(3,4-dimethyl-2-nitrophenyl)methanol has a molecular weight of 181.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-nitrophenyl)methanol is sourced from PubChem (CID 130867143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).