(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol

C10H13NO4 — CID 106933007

IUPAC(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
SMILESCc1c(OC[C@@H](C)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO4/c1-7(12)6-15-10-5-3-4-9(8(10)2)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeyPZCWCIIEVFLDRK-SSDOTTSWSA-N
MW211.22 g/mol
LogP1.66
Rot. Bonds4

About (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol

(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol (PubChem CID 106933007) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
PubChem CID106933007
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol
SMILESCc1c(OC[C@@H](C)O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13NO4/c1-7(12)6-15-10-5-3-4-9(8(10)2)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1
InChIKeyPZCWCIIEVFLDRK-SSDOTTSWSA-N
XLogP1.66
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.66
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

(2R)-3-(2-methyl-3-nitrophenoxy)propane-1,2-diol
CID 13192797
1-(4-fluorophenyl)-2-(2-methyl-3-nitrophenoxy)ethanol
CID 109415938
1-(bromomethoxy)-2-methyl-3-nitrobenzene
CID 67096067
2-(2-methyl-3-nitrophenoxy)acetamide
CID 47214184
N-[2-(2-methyl-3-nitrophenoxy)ethyl]propan-2-amine
CID 43437967
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
3-(2-methyl-3-nitrophenoxy)-N-propan-2-ylpropan-1-amine
CID 43381859
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
1-(3-bromopropoxy)-2-methyl-3-nitrobenzene
CID 43437961
1-(2-methyl-3-nitroanilino)propan-2-ol
CID 63076222
N-methyl-2-(2-methyl-3-nitrophenoxy)ethanamine
CID 43437970
1-but-3-ynoxy-2-methyl-3-nitrobenzene
CID 63655623

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol (CID 106933007) is (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol is Cc1c(OC[C@@H](C)O)cccc1[N+](=O)[O-].
What is the InChIKey of (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol?
The InChIKey is PZCWCIIEVFLDRK-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(12)6-15-10-5-3-4-9(8(10)2)11(13)14/h3-5,7,12H,6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol?
(2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol has a molecular weight of 211.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-3-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 106933007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).