(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol

C11H13NO5 — CID 162372482

IUPAC(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
SMILESCC=COc1cc([N+](=O)[O-])c(CO)cc1OC
InChIInChI=1S/C11H13NO5/c1-3-4-17-11-6-9(12(14)15)8(7-13)5-10(11)16-2/h3-6,13H,7H2,1-2H3
InChIKeyJJNBEHDXKUXDBK-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.01
Rot. Bonds5

About (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol

(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol (PubChem CID 162372482) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
PubChem CID162372482
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol
SMILESCC=COc1cc([N+](=O)[O-])c(CO)cc1OC
InChIInChI=1S/C11H13NO5/c1-3-4-17-11-6-9(12(14)15)8(7-13)5-10(11)16-2/h3-6,13H,7H2,1-2H3
InChIKeyJJNBEHDXKUXDBK-UHFFFAOYSA-N
XLogP2.01
TPSA81.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxy-5-methoxy-2-nitrophenyl)methanol
CID 43311689
[5-methoxy-2-nitro-4-(2-nitroethoxy)phenyl]methanol
CID 139644749
(4-hept-6-enoxy-5-methoxy-2-nitrophenyl)methanol
CID 107007463
(2-nitro-4-prop-1-enoxyphenyl)methanol
CID 162372488
[4-(2-ethylsulfonylethoxy)-5-methoxy-2-nitrophenyl]methanol
CID 43807940
[4-[2-(dimethylamino)ethoxy]-5-methoxy-2-nitrophenyl]methanol
CID 43311741
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-methylpropanamide
CID 43311692
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]butanamide
CID 62901575
(4,5-dimethoxy-2-nitrophenyl)methyl methyl carbonate
CID 163219715
[5-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2-nitrophenyl]methanol
CID 43311708
1-(4,5-dimethoxy-2-nitrophenyl)butan-2-one
CID 83008688
2-[4-(hydroxymethyl)-2-methoxy-5-nitrophenoxy]-N-propylacetamide
CID 43311733

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol?
The IUPAC name of (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol (CID 162372482) is (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol.
What is the SMILES notation for (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol?
The canonical SMILES for (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol is CC=COc1cc([N+](=O)[O-])c(CO)cc1OC.
What is the InChIKey of (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol?
The InChIKey is JJNBEHDXKUXDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-3-4-17-11-6-9(12(14)15)8(7-13)5-10(11)16-2/h3-6,13H,7H2,1-2H3.
What are the key properties of (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol?
(5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol has a molecular weight of 239.23 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-nitro-4-prop-1-enoxyphenyl)methanol is sourced from PubChem (CID 162372482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).