2-(cyclohexylmethoxy)-3-methoxybenzaldehyde

C15H20O3 — CID 43471351

IUPAC2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCC1CCCCC1
InChIInChI=1S/C15H20O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyJCIKZQHMKXIGCX-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.47
Rot. Bonds5

About 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde

2-(cyclohexylmethoxy)-3-methoxybenzaldehyde (PubChem CID 43471351) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
PubChem CID43471351
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name2-(cyclohexylmethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCC1CCCCC1
InChIInChI=1S/C15H20O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3
InChIKeyJCIKZQHMKXIGCX-UHFFFAOYSA-N
XLogP3.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde 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-(cyclohexylmethoxy)-3-methoxybenzaldehyde?
The IUPAC name of 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde (CID 43471351) is 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde?
The InChIKey is JCIKZQHMKXIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-14-9-5-8-13(10-16)15(14)18-11-12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7,11H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde?
2-(cyclohexylmethoxy)-3-methoxybenzaldehyde has a molecular weight of 248.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 43471351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).