4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde

C16H15ClO3 — CID 693306

IUPAC4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3
InChIKeyRKDKWRMABXGUPQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds6

About 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde

4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde (PubChem CID 693306) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
PubChem CID693306
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3
InChIKeyRKDKWRMABXGUPQ-UHFFFAOYSA-N
XLogP4.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde (CID 693306) is 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde is CCOc1cc(C=O)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde?
The InChIKey is RKDKWRMABXGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-2-19-16-9-13(10-18)5-8-15(16)20-11-12-3-6-14(17)7-4-12/h3-10H,2,11H2,1H3.
What are the key properties of 4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde?
4-[(4-chlorophenyl)methoxy]-3-ethoxybenzaldehyde has a molecular weight of 290.75 g/mol, XLogP of 4.13, 6 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-ethoxybenzaldehyde is sourced from PubChem (CID 693306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).