2-(3-methoxyphenoxy)acetaldehyde

C9H10O3 — CID 15692237

IUPAC2-(3-methoxyphenoxy)acetaldehyde
SMILESCOc1cccc(OCC=O)c1
InChIInChI=1S/C9H10O3/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-5,7H,6H2,1H3
InChIKeyVXORHBJUOBJMDC-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.27
Rot. Bonds4

About 2-(3-methoxyphenoxy)acetaldehyde

2-(3-methoxyphenoxy)acetaldehyde (PubChem CID 15692237) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)acetaldehyde
PubChem CID15692237
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(3-methoxyphenoxy)acetaldehyde
SMILESCOc1cccc(OCC=O)c1
InChIInChI=1S/C9H10O3/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-5,7H,6H2,1H3
InChIKeyVXORHBJUOBJMDC-UHFFFAOYSA-N
XLogP1.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(3-methoxyphenoxy)acetaldehyde 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

2-(3-propoxyphenoxy)acetaldehyde
CID 158555885
2-[3-(2-aminoethoxy)phenoxy]acetaldehyde
CID 163403817
2-(3-iodophenoxy)acetaldehyde
CID 54101837
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
(E)-4-(3-methoxyphenoxy)-2-methylbut-2-enoyl chloride
CID 125476170
(3-methoxyphenoxy)methanol
CID 10442564
1-(chloromethoxy)-3-methoxybenzene
CID 59086252
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
1-methoxy-3-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2263044
2-[3-(aminooxymethyl)phenoxy]acetaldehyde
CID 130193211

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)acetaldehyde?
The IUPAC name of 2-(3-methoxyphenoxy)acetaldehyde (CID 15692237) is 2-(3-methoxyphenoxy)acetaldehyde.
What is the SMILES notation for 2-(3-methoxyphenoxy)acetaldehyde?
The canonical SMILES for 2-(3-methoxyphenoxy)acetaldehyde is COc1cccc(OCC=O)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)acetaldehyde?
The InChIKey is VXORHBJUOBJMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-11-8-3-2-4-9(7-8)12-6-5-10/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-methoxyphenoxy)acetaldehyde?
2-(3-methoxyphenoxy)acetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)acetaldehyde is sourced from PubChem (CID 15692237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).