(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol

C10H13NO4 — CID 106933183

IUPAC(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
SMILESCc1cc([N+](=O)[O-])ccc1OC[C@@H](C)O
InChIInChI=1S/C10H13NO4/c1-7-5-9(11(13)14)3-4-10(7)15-6-8(2)12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyCYWCTGKZHVLHMF-MRVPVSSYSA-N
MW211.22 g/mol
LogP1.66
Rot. Bonds4

About (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol

(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol (PubChem CID 106933183) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
PubChem CID106933183
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol
SMILESCc1cc([N+](=O)[O-])ccc1OC[C@@H](C)O
InChIInChI=1S/C10H13NO4/c1-7-5-9(11(13)14)3-4-10(7)15-6-8(2)12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1
InChIKeyCYWCTGKZHVLHMF-MRVPVSSYSA-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

2-(2-hydroxypropoxy)-5-nitrobenzaldehyde
CID 60884121
1-(2-bromo-5-nitrophenoxy)propan-2-ol
CID 103011922
1-(2,5-dimethyl-4-nitrophenoxy)propan-2-ol
CID 65277371
1-(2-bromoethoxy)-2-methyl-4-nitrobenzene
CID 102536841
2-(2-methyl-4-nitrophenoxy)-N-(2-methyl-4-nitrophenyl)acetamide
CID 19237188
2-methyl-1-(2-methylsulfanylethoxy)-4-nitrobenzene
CID 103907603
(2R)-1-(4-chloro-2-nitrophenoxy)propan-2-ol
CID 106933009
1-(4-fluoro-2-nitrophenoxy)propan-2-ol
CID 65277245
2-[(2-methyl-4-nitrophenoxy)methyl]pyrimidine
CID 162519965
2-methyl-4-nitro-1-pent-4-ynoxybenzene
CID 115871124
(2R)-1-(5-nitropyrimidin-2-yl)oxypropan-2-ol
CID 139508595
1-(2-ethoxy-5-nitrophenyl)ethanol
CID 116541848

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol (CID 106933183) is (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol is Cc1cc([N+](=O)[O-])ccc1OC[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol?
The InChIKey is CYWCTGKZHVLHMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-5-9(11(13)14)3-4-10(7)15-6-8(2)12/h3-5,8,12H,6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-4-nitrophenoxy)propan-2-ol?
(2R)-1-(2-methyl-4-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-4-nitrophenoxy)propan-2-ol is sourced from PubChem (CID 106933183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).