3-prop-2-enoxybenzaldehyde

C10H10O2 — CID 2716612

IUPAC3-prop-2-enoxybenzaldehyde
SMILESC=CCOc1cccc(C=O)c1
InChIInChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h2-5,7-8H,1,6H2
InChIKeySEDRQGRABDFZKO-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.06
Rot. Bonds4

About 3-prop-2-enoxybenzaldehyde

3-prop-2-enoxybenzaldehyde (PubChem CID 2716612) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-prop-2-enoxybenzaldehyde
PubChem CID2716612
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-prop-2-enoxybenzaldehyde
SMILESC=CCOc1cccc(C=O)c1
InChIInChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h2-5,7-8H,1,6H2
InChIKeySEDRQGRABDFZKO-UHFFFAOYSA-N
XLogP2.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-prop-2-enoxybenzaldehyde (CID 2716612) is 3-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-prop-2-enoxybenzaldehyde is C=CCOc1cccc(C=O)c1.
What is the InChIKey of 3-prop-2-enoxybenzaldehyde?
The InChIKey is SEDRQGRABDFZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h2-5,7-8H,1,6H2.
What are the key properties of 3-prop-2-enoxybenzaldehyde?
3-prop-2-enoxybenzaldehyde has a molecular weight of 162.19 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 2716612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).