1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one

C10H11NO4 — CID 13157008

IUPAC1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11NO4/c1-6(2)10(13)8-5-7(11(14)15)3-4-9(8)12/h3-6,12H,1-2H3
InChIKeyRMEXNNGZBQYXPU-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.14
Rot. Bonds3

About 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one

1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (PubChem CID 13157008) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
PubChem CID13157008
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C10H11NO4/c1-6(2)10(13)8-5-7(11(14)15)3-4-9(8)12/h3-6,12H,1-2H3
InChIKeyRMEXNNGZBQYXPU-UHFFFAOYSA-N
XLogP2.14
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.14
H-Bond Donors ≤ 51
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

1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
1-(2-hydroxy-5-nitrophenyl)butan-1-one
CID 23019315
2-(2-hydroxy-5-nitrophenyl)prop-2-enoic acid
CID 151467946
[3-(2-hydroxy-5-nitrobenzoyl)-5-nitrophenyl]-(2-hydroxy-5-nitrophenyl)methanone
CID 166446115
N'-acetyl-2-hydroxy-5-nitrobenzohydrazide
CID 102383620
3-(2-hydroxy-5-nitrophenyl)-2-methylpropanoic acid
CID 117322793
oxobismuthanyl 2-hydroxy-5-nitrobenzoate
CID 16688295
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
2-[[2-(2-methylpropanoyl)-4-nitrophenyl]carbamoyl]benzoic acid
CID 22303379
2-[(1S)-1-aminoethyl]-4-nitrophenol;hydrochloride
CID 171217252
propan-2-yl 2-hydroxy-4-nitrobenzoate
CID 131865542
4-nitro-2-[(propan-2-ylamino)methyl]phenol
CID 42801427

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (CID 13157008) is 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one is CC(C)C(=O)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one?
The InChIKey is RMEXNNGZBQYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6(2)10(13)8-5-7(11(14)15)3-4-9(8)12/h3-6,12H,1-2H3.
What are the key properties of 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one?
1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one has a molecular weight of 209.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one is sourced from PubChem (CID 13157008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).