(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol

C10H11NO4 — CID 101211674

IUPAC(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(/C=C/CO)c1
InChIInChI=1S/C10H11NO4/c1-15-9-4-5-10(11(13)14)8(7-9)3-2-6-12/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeyBYHUFWQWJZVGSI-NSCUHMNNSA-N
MW209.20 g/mol
LogP1.61
Rot. Bonds4

About (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol

(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol (PubChem CID 101211674) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol
PubChem CID101211674
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol
SMILESCOc1ccc([N+](=O)[O-])c(/C=C/CO)c1
InChIInChI=1S/C10H11NO4/c1-15-9-4-5-10(11(13)14)8(7-9)3-2-6-12/h2-5,7,12H,6H2,1H3/b3-2+
InChIKeyBYHUFWQWJZVGSI-NSCUHMNNSA-N
XLogP1.61
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.61
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'}

Analyze (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol 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-(5-methoxy-2-nitrophenyl)but-3-enenitrile
CID 170800807
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231
methane;5-methoxy-2-nitrobenzaldehyde;(5-methoxy-2-nitrophenyl)methanol
CID 160701549
2-(3-hydroxyprop-1-enyl)-4-methoxyphenol
CID 169453185
1-(3-bromoprop-1-enyl)-4-methoxy-2-nitrobenzene
CID 68696051
3-(2-bromo-5-methoxyphenyl)prop-2-en-1-ol
CID 169454365
2-(3-hydroxyprop-1-enyl)-4-methoxybenzoic acid
CID 169453819
3-(4-methoxy-2-methylphenyl)prop-2-en-1-ol
CID 86025017
methyl 3-[(Z)-3-(5-methoxy-2-nitrophenyl)prop-2-enoyl]benzoate
CID 145358422
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
ethyl 2-fluoro-3-(5-methoxy-2-nitrophenyl)prop-2-enoate
CID 175399041
ethane;5-methoxy-2-nitrophenol
CID 143133372

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol (CID 101211674) is (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol is COc1ccc([N+](=O)[O-])c(/C=C/CO)c1.
What is the InChIKey of (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol?
The InChIKey is BYHUFWQWJZVGSI-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H11NO4/c1-15-9-4-5-10(11(13)14)8(7-9)3-2-6-12/h2-5,7,12H,6H2,1H3/b3-2+.
What are the key properties of (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol?
(E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol has a molecular weight of 209.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxy-2-nitrophenyl)prop-2-en-1-ol is sourced from PubChem (CID 101211674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).