3-chloro-4-(4-ethylphenoxy)benzaldehyde

C15H13ClO2 — CID 81151574

IUPAC3-chloro-4-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-17)9-14(15)16/h3-10H,2H2,1H3
InChIKeyGILINGUVEOIROS-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.51
Rot. Bonds4

About 3-chloro-4-(4-ethylphenoxy)benzaldehyde

3-chloro-4-(4-ethylphenoxy)benzaldehyde (PubChem CID 81151574) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-chloro-4-(4-ethylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-(4-ethylphenoxy)benzaldehyde
PubChem CID81151574
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name3-chloro-4-(4-ethylphenoxy)benzaldehyde
SMILESCCc1ccc(Oc2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-17)9-14(15)16/h3-10H,2H2,1H3
InChIKeyGILINGUVEOIROS-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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Related Compounds

3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 81151886
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
3-chloro-4-(4-chlorophenoxy)benzaldehyde;3-chloro-4-fluorobenzaldehyde;4-chlorophenol
CID 164986492
3-chloro-5-ethoxy-4-[2-(4-ethylphenoxy)ethoxy]benzaldehyde
CID 22684417
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
1-[3-chloro-4-(4-ethylphenoxy)phenyl]butan-2-amine
CID 81159953
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-ethylphenoxy)benzaldehyde?
The IUPAC name of 3-chloro-4-(4-ethylphenoxy)benzaldehyde (CID 81151574) is 3-chloro-4-(4-ethylphenoxy)benzaldehyde.
What is the SMILES notation for 3-chloro-4-(4-ethylphenoxy)benzaldehyde?
The canonical SMILES for 3-chloro-4-(4-ethylphenoxy)benzaldehyde is CCc1ccc(Oc2ccc(C=O)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-(4-ethylphenoxy)benzaldehyde?
The InChIKey is GILINGUVEOIROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-17)9-14(15)16/h3-10H,2H2,1H3.
What are the key properties of 3-chloro-4-(4-ethylphenoxy)benzaldehyde?
3-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 3-chloro-4-(4-ethylphenoxy)benzaldehyde is sourced from PubChem (CID 81151574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).