4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde

C19H19ClO3 — CID 882975

IUPAC4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OCC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO3/c1-3-5-16-10-15(12-21)11-18(22-4-2)19(16)23-13-14-6-8-17(20)9-7-14/h3,6-12H,1,4-5,13H2,2H3
InChIKeyIEUQVOJFMFUAJA-UHFFFAOYSA-N
MW330.81 g/mol
LogP4.86
Rot. Bonds8

About 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde

4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde (PubChem CID 882975) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
PubChem CID882975
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde
SMILESC=CCc1cc(C=O)cc(OCC)c1OCc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClO3/c1-3-5-16-10-15(12-21)11-18(22-4-2)19(16)23-13-14-6-8-17(20)9-7-14/h3,6-12H,1,4-5,13H2,2H3
InChIKeyIEUQVOJFMFUAJA-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde (CID 882975) is 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde is C=CCc1cc(C=O)cc(OCC)c1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
The InChIKey is IEUQVOJFMFUAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-3-5-16-10-15(12-21)11-18(22-4-2)19(16)23-13-14-6-8-17(20)9-7-14/h3,6-12H,1,4-5,13H2,2H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde?
4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde has a molecular weight of 330.81 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-prop-2-enylbenzaldehyde is sourced from PubChem (CID 882975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).