(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol

C16H17NO4 — CID 103960594

IUPAC(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17NO4/c1-3-14(18)12-6-4-5-7-15(12)21-16-9-8-11(2)10-13(16)17(19)20/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1
InChIKeyMFDAXKZCGMFPRU-CQSZACIVSA-N
MW287.32 g/mol
LogP4.14
Rot. Bonds5

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

(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol (PubChem CID 103960594) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
PubChem CID103960594
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H17NO4/c1-3-14(18)12-6-4-5-7-15(12)21-16-9-8-11(2)10-13(16)17(19)20/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1
InChIKeyMFDAXKZCGMFPRU-CQSZACIVSA-N
XLogP4.14
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.14
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

(1R)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 78941825
(1S)-1-[2-(5-methyl-2-nitrophenoxy)phenyl]ethanol
CID 63374737
(1R)-1-[2-(2-bromo-4-methylphenoxy)phenyl]propan-1-ol
CID 103960518
4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
(1S)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960585
(1R)-1-[2-(2-methyl-5-nitrophenoxy)phenyl]propan-1-ol
CID 103960584
[2-(4-methyl-2-nitrophenoxy)phenyl]methanol
CID 61311271
(1S)-1-[2-(3-fluoro-4-nitrophenoxy)phenyl]propan-1-ol
CID 103960599
1-[5-(4-methyl-2-nitrophenoxy)-2-pyridinyl]propan-1-ol
CID 115940567
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
(1S)-1-[2-(2-nitrophenoxy)phenyl]propan-1-amine
CID 103739059
1-[2-fluoro-6-(4-methyl-2-nitrophenoxy)phenyl]ethanol
CID 61312027

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol (CID 103960594) is (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccc(C)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol?
The InChIKey is MFDAXKZCGMFPRU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-14(18)12-6-4-5-7-15(12)21-16-9-8-11(2)10-13(16)17(19)20/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-methyl-2-nitrophenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).