3-chloro-4-prop-2-enoxybenzaldehyde

C10H9ClO2 — CID 4770036

IUPAC3-chloro-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C10H9ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h2-4,6-7H,1,5H2
InChIKeyKMFXGBKTGDWRTF-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.72
Rot. Bonds4

About 3-chloro-4-prop-2-enoxybenzaldehyde

3-chloro-4-prop-2-enoxybenzaldehyde (PubChem CID 4770036) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is 3-chloro-4-prop-2-enoxybenzaldehyde.

Molecular Properties

Compound Name3-chloro-4-prop-2-enoxybenzaldehyde
PubChem CID4770036
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name3-chloro-4-prop-2-enoxybenzaldehyde
SMILESC=CCOc1ccc(C=O)cc1Cl
InChIInChI=1S/C10H9ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h2-4,6-7H,1,5H2
InChIKeyKMFXGBKTGDWRTF-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.72
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-chloro-4-prop-2-enoxybenzaldehyde?
The IUPAC name of 3-chloro-4-prop-2-enoxybenzaldehyde (CID 4770036) is 3-chloro-4-prop-2-enoxybenzaldehyde.
What is the SMILES notation for 3-chloro-4-prop-2-enoxybenzaldehyde?
The canonical SMILES for 3-chloro-4-prop-2-enoxybenzaldehyde is C=CCOc1ccc(C=O)cc1Cl.
What is the InChIKey of 3-chloro-4-prop-2-enoxybenzaldehyde?
The InChIKey is KMFXGBKTGDWRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h2-4,6-7H,1,5H2.
What are the key properties of 3-chloro-4-prop-2-enoxybenzaldehyde?
3-chloro-4-prop-2-enoxybenzaldehyde has a molecular weight of 196.63 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-prop-2-enoxybenzaldehyde is sourced from PubChem (CID 4770036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).