2-chloro-4-(4-ethylphenoxy)benzaldehyde

C15H13ClO2 — CID 114064170

IUPAC2-chloro-4-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-10H,2H2,1H3
InChIKeyAMAVTFMXPYROMB-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.51
Rot. Bonds4

About 2-chloro-4-(4-ethylphenoxy)benzaldehyde

2-chloro-4-(4-ethylphenoxy)benzaldehyde (PubChem CID 114064170) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-4-(4-ethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(4-ethylphenoxy)benzaldehyde
PubChem CID114064170
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name2-chloro-4-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-10H,2H2,1H3
InChIKeyAMAVTFMXPYROMB-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethylphenoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(4-ethylphenoxy)benzaldehyde (CID 114064170) is 2-chloro-4-(4-ethylphenoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(4-ethylphenoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(4-ethylphenoxy)benzaldehyde is CCc1ccc(Oc2ccc(C=O)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-4-(4-ethylphenoxy)benzaldehyde?
The InChIKey is AMAVTFMXPYROMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-14-8-5-12(10-17)15(16)9-14/h3-10H,2H2,1H3.
What are the key properties of 2-chloro-4-(4-ethylphenoxy)benzaldehyde?
2-chloro-4-(4-ethylphenoxy)benzaldehyde has a molecular weight of 260.72 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethylphenoxy)benzaldehyde is sourced from PubChem (CID 114064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).