2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid

C10H11NO5 — CID 119002363

IUPAC2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)c([N+](=O)[O-])cc1C(O)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5-3-6(2)8(11(15)16)4-7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14)
InChIKeyTWHQVPKTTWBIMG-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.33
Rot. Bonds3

About 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid

2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid (PubChem CID 119002363) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
PubChem CID119002363
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
SMILESCc1cc(C)c([N+](=O)[O-])cc1C(O)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5-3-6(2)8(11(15)16)4-7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14)
InChIKeyTWHQVPKTTWBIMG-UHFFFAOYSA-N
XLogP1.33
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.33
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-(2-bromo-4-methyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119015806
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
(2R)-2-hydroxy-2-(4-methyl-3-nitrophenyl)acetic acid
CID 131420861
2-(2-fluoro-5-methyl-3-nitrophenyl)-2-hydroxyacetic acid
CID 131566605
4-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899858
2-(2,4-dinitrophenyl)-2-hydroxyacetic acid
CID 166610284
2-(2,5-difluoro-3-nitrophenyl)-2-hydroxyacetic acid
CID 119021216
2-(2,4-dimethyl-5-nitrophenoxy)propanoic acid
CID 70074643
5-methyl-4-nitro-2-propan-2-ylphenol
CID 713200
(2R)-2-(4-bromo-2-nitrophenyl)-2-hydroxyacetic acid
CID 131418621
2-(5-bromo-2-methoxy-4-nitrophenyl)-2-hydroxyacetic acid
CID 171008066
4-(2,4-dimethyl-5-nitroanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103499176

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid (CID 119002363) is 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid is Cc1cc(C)c([N+](=O)[O-])cc1C(O)C(=O)O.
What is the InChIKey of 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid?
The InChIKey is TWHQVPKTTWBIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-5-3-6(2)8(11(15)16)4-7(5)9(12)10(13)14/h3-4,9,12H,1-2H3,(H,13,14).
What are the key properties of 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid?
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid has a molecular weight of 225.20 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 119002363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).