1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol

C14H15NO5S — CID 109412942

IUPAC1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccccc1OCC(O)COCc1cccs1
InChIInChI=1S/C14H15NO5S/c16-11(8-19-10-12-4-3-7-21-12)9-20-14-6-2-1-5-13(14)15(17)18/h1-7,11,16H,8-10H2
InChIKeyAWVGEABDFPPPFN-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.61
Rot. Bonds8

About 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 109412942) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID109412942
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO=[N+]([O-])c1ccccc1OCC(O)COCc1cccs1
InChIInChI=1S/C14H15NO5S/c16-11(8-19-10-12-4-3-7-21-12)9-20-14-6-2-1-5-13(14)15(17)18/h1-7,11,16H,8-10H2
InChIKeyAWVGEABDFPPPFN-UHFFFAOYSA-N
XLogP2.61
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-2,3-dihydroinden-1-one
CID 109415621
1-(4-fluoro-2-nitrophenoxy)-3-phenylmethoxypropan-2-ol
CID 109415788
1-(4-chlorophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109412716
1-(tert-butylamino)-3-(2-nitrophenoxy)propan-2-ol
CID 14689265
(2S)-1-azido-3-(2-nitrophenoxy)propan-2-ol
CID 167439307
(2S)-1-morpholin-4-ium-4-yl-3-(2-nitrophenoxy)propan-2-ol
CID 7378153
1-(4-chloro-2-nitrophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415104
4-nitro-3-(thiophen-2-ylmethoxy)benzoic acid
CID 62114686
3-chloro-4-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]benzonitrile
CID 97243421
2-(2-hydroxy-3-thiophen-2-ylpropoxy)phenol
CID 117246123
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-nitrophenoxy)acetate
CID 2626600
N-[2-[[2-hydroxy-3-(2-nitrophenoxy)propyl]amino]ethyl]-2,2-dimethylpropanamide
CID 13030882

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 109412942) is 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol is O=[N+]([O-])c1ccccc1OCC(O)COCc1cccs1.
What is the InChIKey of 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is AWVGEABDFPPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c16-11(8-19-10-12-4-3-7-21-12)9-20-14-6-2-1-5-13(14)15(17)18/h1-7,11,16H,8-10H2.
What are the key properties of 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 309.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenoxy)-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 109412942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).