4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde

C17H24O2 — CID 87224645

IUPAC4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1OCC(C)C1CCCCC1
InChIInChI=1S/C17H24O2/c1-13-10-15(11-18)8-9-17(13)19-12-14(2)16-6-4-3-5-7-16/h8-11,14,16H,3-7,12H2,1-2H3
InChIKeyGIAMQYRWXXYJNZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.40
Rot. Bonds5

About 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde

4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde (PubChem CID 87224645) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde.

Molecular Properties

Compound Name4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde
PubChem CID87224645
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde
SMILESCc1cc(C=O)ccc1OCC(C)C1CCCCC1
InChIInChI=1S/C17H24O2/c1-13-10-15(11-18)8-9-17(13)19-12-14(2)16-6-4-3-5-7-16/h8-11,14,16H,3-7,12H2,1-2H3
InChIKeyGIAMQYRWXXYJNZ-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde 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 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde?
The IUPAC name of 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde (CID 87224645) is 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde.
What is the SMILES notation for 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde?
The canonical SMILES for 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde is Cc1cc(C=O)ccc1OCC(C)C1CCCCC1.
What is the InChIKey of 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde?
The InChIKey is GIAMQYRWXXYJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-13-10-15(11-18)8-9-17(13)19-12-14(2)16-6-4-3-5-7-16/h8-11,14,16H,3-7,12H2,1-2H3.
What are the key properties of 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde?
4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde has a molecular weight of 260.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylpropoxy)-3-methylbenzaldehyde is sourced from PubChem (CID 87224645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).