(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol

C12H15NO2 — CID 142247032

IUPAC(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol
SMILESC=C/C=C(\O)c1ccc(NC)c(OC)c1
InChIInChI=1S/C12H15NO2/c1-4-5-11(14)9-6-7-10(13-2)12(8-9)15-3/h4-8,13-14H,1H2,2-3H3/b11-5-
InChIKeyHTDWWOLMTUNBDX-WZUFQYTHSA-N
MW205.26 g/mol
LogP2.82
Rot. Bonds4

About (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol

(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol (PubChem CID 142247032) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol.

Molecular Properties

Compound Name(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol
PubChem CID142247032
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol
SMILESC=C/C=C(\O)c1ccc(NC)c(OC)c1
InChIInChI=1S/C12H15NO2/c1-4-5-11(14)9-6-7-10(13-2)12(8-9)15-3/h4-8,13-14H,1H2,2-3H3/b11-5-
InChIKeyHTDWWOLMTUNBDX-WZUFQYTHSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-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

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol?
The IUPAC name of (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol (CID 142247032) is (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol.
What is the SMILES notation for (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol?
The canonical SMILES for (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol is C=C/C=C(\O)c1ccc(NC)c(OC)c1.
What is the InChIKey of (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol?
The InChIKey is HTDWWOLMTUNBDX-WZUFQYTHSA-N. The full InChI is InChI=1S/C12H15NO2/c1-4-5-11(14)9-6-7-10(13-2)12(8-9)15-3/h4-8,13-14H,1H2,2-3H3/b11-5-.
What are the key properties of (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol?
(1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol has a molecular weight of 205.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[3-methoxy-4-(methylamino)phenyl]buta-1,3-dien-1-ol is sourced from PubChem (CID 142247032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).