3-(4-methyl-4-phenylcycloheptyl)propanal

C17H24O — CID 91296758

IUPAC3-(4-methyl-4-phenylcycloheptyl)propanal
SMILESCC1(c2ccccc2)CCCC(CCC=O)CC1
InChIInChI=1S/C17H24O/c1-17(16-9-3-2-4-10-16)12-5-7-15(11-13-17)8-6-14-18/h2-4,9-10,14-15H,5-8,11-13H2,1H3
InChIKeyBPHYWLZAGADSQL-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.50
Rot. Bonds4

About 3-(4-methyl-4-phenylcycloheptyl)propanal

3-(4-methyl-4-phenylcycloheptyl)propanal (PubChem CID 91296758) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(4-methyl-4-phenylcycloheptyl)propanal.

Molecular Properties

Compound Name3-(4-methyl-4-phenylcycloheptyl)propanal
PubChem CID91296758
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name3-(4-methyl-4-phenylcycloheptyl)propanal
SMILESCC1(c2ccccc2)CCCC(CCC=O)CC1
InChIInChI=1S/C17H24O/c1-17(16-9-3-2-4-10-16)12-5-7-15(11-13-17)8-6-14-18/h2-4,9-10,14-15H,5-8,11-13H2,1H3
InChIKeyBPHYWLZAGADSQL-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-methyl-4-phenylcycloheptyl)propanal 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 3-(4-methyl-4-phenylcycloheptyl)propanal?
The IUPAC name of 3-(4-methyl-4-phenylcycloheptyl)propanal (CID 91296758) is 3-(4-methyl-4-phenylcycloheptyl)propanal.
What is the SMILES notation for 3-(4-methyl-4-phenylcycloheptyl)propanal?
The canonical SMILES for 3-(4-methyl-4-phenylcycloheptyl)propanal is CC1(c2ccccc2)CCCC(CCC=O)CC1.
What is the InChIKey of 3-(4-methyl-4-phenylcycloheptyl)propanal?
The InChIKey is BPHYWLZAGADSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-17(16-9-3-2-4-10-16)12-5-7-15(11-13-17)8-6-14-18/h2-4,9-10,14-15H,5-8,11-13H2,1H3.
What are the key properties of 3-(4-methyl-4-phenylcycloheptyl)propanal?
3-(4-methyl-4-phenylcycloheptyl)propanal has a molecular weight of 244.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-4-phenylcycloheptyl)propanal is sourced from PubChem (CID 91296758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).