3-propylbenzaldehyde

C10H12O — CID 14148939

IUPAC3-propylbenzaldehyde
SMILESCCCc1cccc(C=O)c1
InChIInChI=1S/C10H12O/c1-2-4-9-5-3-6-10(7-9)8-11/h3,5-8H,2,4H2,1H3
InChIKeyFDKRXGOMMRLUIQ-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.45
Rot. Bonds3

About 3-propylbenzaldehyde

3-propylbenzaldehyde (PubChem CID 14148939) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 3-propylbenzaldehyde.

Molecular Properties

Compound Name3-propylbenzaldehyde
PubChem CID14148939
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name3-propylbenzaldehyde
SMILESCCCc1cccc(C=O)c1
InChIInChI=1S/C10H12O/c1-2-4-9-5-3-6-10(7-9)8-11/h3,5-8H,2,4H2,1H3
InChIKeyFDKRXGOMMRLUIQ-UHFFFAOYSA-N
XLogP2.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.45
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-propylbenzaldehyde?
The IUPAC name of 3-propylbenzaldehyde (CID 14148939) is 3-propylbenzaldehyde.
What is the SMILES notation for 3-propylbenzaldehyde?
The canonical SMILES for 3-propylbenzaldehyde is CCCc1cccc(C=O)c1.
What is the InChIKey of 3-propylbenzaldehyde?
The InChIKey is FDKRXGOMMRLUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-2-4-9-5-3-6-10(7-9)8-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 3-propylbenzaldehyde?
3-propylbenzaldehyde has a molecular weight of 148.20 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylbenzaldehyde is sourced from PubChem (CID 14148939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).