3-(3-cycloheptylphenyl)propanal

C16H22O — CID 117332990

IUPAC3-(3-cycloheptylphenyl)propanal
SMILESO=CCCc1cccc(C2CCCCCC2)c1
InChIInChI=1S/C16H22O/c17-12-6-8-14-7-5-11-16(13-14)15-9-3-1-2-4-10-15/h5,7,11-13,15H,1-4,6,8-10H2
InChIKeyMSOPRGGESWMXFN-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.26
Rot. Bonds4

About 3-(3-cycloheptylphenyl)propanal

3-(3-cycloheptylphenyl)propanal (PubChem CID 117332990) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(3-cycloheptylphenyl)propanal.

Molecular Properties

Compound Name3-(3-cycloheptylphenyl)propanal
PubChem CID117332990
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name3-(3-cycloheptylphenyl)propanal
SMILESO=CCCc1cccc(C2CCCCCC2)c1
InChIInChI=1S/C16H22O/c17-12-6-8-14-7-5-11-16(13-14)15-9-3-1-2-4-10-15/h5,7,11-13,15H,1-4,6,8-10H2
InChIKeyMSOPRGGESWMXFN-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptylphenyl)propanal?
The IUPAC name of 3-(3-cycloheptylphenyl)propanal (CID 117332990) is 3-(3-cycloheptylphenyl)propanal.
What is the SMILES notation for 3-(3-cycloheptylphenyl)propanal?
The canonical SMILES for 3-(3-cycloheptylphenyl)propanal is O=CCCc1cccc(C2CCCCCC2)c1.
What is the InChIKey of 3-(3-cycloheptylphenyl)propanal?
The InChIKey is MSOPRGGESWMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c17-12-6-8-14-7-5-11-16(13-14)15-9-3-1-2-4-10-15/h5,7,11-13,15H,1-4,6,8-10H2.
What are the key properties of 3-(3-cycloheptylphenyl)propanal?
3-(3-cycloheptylphenyl)propanal has a molecular weight of 230.35 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptylphenyl)propanal is sourced from PubChem (CID 117332990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).