[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol

C13H14N2O5S — CID 43311708

IUPAC[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCc1csc(C)n1
InChIInChI=1S/C13H14N2O5S/c1-8-14-10(7-21-8)6-20-13-4-11(15(17)18)9(5-16)3-12(13)19-2/h3-4,7,16H,5-6H2,1-2H3
InChIKeyPXZMOMUANKSTHO-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.44
Rot. Bonds6

About [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol

[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol (PubChem CID 43311708) has the molecular formula C13H14N2O5S and a molecular weight of 310.33 g/mol. Its IUPAC name is [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol.

Molecular Properties

Compound Name[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
PubChem CID43311708
Molecular FormulaC13H14N2O5S
Molecular Weight310.33 g/mol
Exact Mass310.06
IUPAC Name[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
SMILESCOc1cc(CO)c([N+](=O)[O-])cc1OCc1csc(C)n1
InChIInChI=1S/C13H14N2O5S/c1-8-14-10(7-21-8)6-20-13-4-11(15(17)18)9(5-16)3-12(13)19-2/h3-4,7,16H,5-6H2,1-2H3
InChIKeyPXZMOMUANKSTHO-UHFFFAOYSA-N
XLogP2.44
TPSA94.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
[5-methoxy-4-[(1-methylimidazol-2-yl)methoxy]-2-nitrophenyl]methanol
CID 43311683
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372482
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463
[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]-5-nitrophenyl]methanamine
CID 60888826
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
[4-(2-imidazol-1-ylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43311703
1-[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 43503813
5-methoxy-2-nitro-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 43311669

Frequently Asked Questions

What is the IUPAC name of [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol?
The IUPAC name of [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol (CID 43311708) is [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol.
What is the SMILES notation for [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol?
The canonical SMILES for [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol is COc1cc(CO)c([N+](=O)[O-])cc1OCc1csc(C)n1.
What is the InChIKey of [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol?
The InChIKey is PXZMOMUANKSTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5S/c1-8-14-10(7-21-8)6-20-13-4-11(15(17)18)9(5-16)3-12(13)19-2/h3-4,7,16H,5-6H2,1-2H3.
What are the key properties of [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol?
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol has a molecular weight of 310.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol is sourced from PubChem (CID 43311708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).