4-chloro-2-(3-ethoxyphenoxy)benzaldehyde

C15H13ClO3 — CID 114844906

IUPAC4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
SMILESCCOc1cccc(Oc2cc(Cl)ccc2C=O)c1
InChIInChI=1S/C15H13ClO3/c1-2-18-13-4-3-5-14(9-13)19-15-8-12(16)7-6-11(15)10-17/h3-10H,2H2,1H3
InChIKeyXYLZTZOQTQSPAC-UHFFFAOYSA-N
MW276.72 g/mol
LogP4.34
Rot. Bonds5

About 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde

4-chloro-2-(3-ethoxyphenoxy)benzaldehyde (PubChem CID 114844906) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
PubChem CID114844906
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
SMILESCCOc1cccc(Oc2cc(Cl)ccc2C=O)c1
InChIInChI=1S/C15H13ClO3/c1-2-18-13-4-3-5-14(9-13)19-15-8-12(16)7-6-11(15)10-17/h3-10H,2H2,1H3
InChIKeyXYLZTZOQTQSPAC-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
[5-chloro-2-(3-ethoxyphenoxy)phenyl]methanamine
CID 62494201
4-methoxy-2-(3-methoxyphenoxy)benzaldehyde
CID 122403845
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
4-chloro-2-(2,3-dichlorophenoxy)benzaldehyde
CID 114844667
3-bromo-4-(3-ethoxyphenoxy)benzaldehyde
CID 114062278
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 114844824
(E)-3-[4-chloro-2-(3-ethylphenoxy)phenyl]prop-2-enoic acid
CID 114858813
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
2-chloro-4-(3-ethoxyphenoxy)-5-methylpyridine
CID 83266855
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
4-chloro-2-quinolin-5-yloxybenzaldehyde
CID 103045115

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde?
The IUPAC name of 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde (CID 114844906) is 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde?
The canonical SMILES for 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde is CCOc1cccc(Oc2cc(Cl)ccc2C=O)c1.
What is the InChIKey of 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde?
The InChIKey is XYLZTZOQTQSPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-2-18-13-4-3-5-14(9-13)19-15-8-12(16)7-6-11(15)10-17/h3-10H,2H2,1H3.
What are the key properties of 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde?
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxyphenoxy)benzaldehyde is sourced from PubChem (CID 114844906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).