2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde

C14H18O3 — CID 86668197

IUPAC2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde
SMILESCOc1ccc(C2(C)CCOCC2)cc1C=O
InChIInChI=1S/C14H18O3/c1-14(5-7-17-8-6-14)12-3-4-13(16-2)11(9-12)10-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIKTSIWZIYHHVIJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.58
Rot. Bonds3

About 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde

2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde (PubChem CID 86668197) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde
PubChem CID86668197
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde
SMILESCOc1ccc(C2(C)CCOCC2)cc1C=O
InChIInChI=1S/C14H18O3/c1-14(5-7-17-8-6-14)12-3-4-13(16-2)11(9-12)10-15/h3-4,9-10H,5-8H2,1-2H3
InChIKeyIKTSIWZIYHHVIJ-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde 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 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde?
The IUPAC name of 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde (CID 86668197) is 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde.
What is the SMILES notation for 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde?
The canonical SMILES for 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde is COc1ccc(C2(C)CCOCC2)cc1C=O.
What is the InChIKey of 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde?
The InChIKey is IKTSIWZIYHHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-14(5-7-17-8-6-14)12-3-4-13(16-2)11(9-12)10-15/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde?
2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde has a molecular weight of 234.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methyloxan-4-yl)benzaldehyde is sourced from PubChem (CID 86668197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).