4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde

C16H15ClO3 — CID 114844824

IUPAC4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
SMILESCOCCc1ccc(Oc2cc(Cl)ccc2C=O)cc1
InChIInChI=1S/C16H15ClO3/c1-19-9-8-12-2-6-15(7-3-12)20-16-10-14(17)5-4-13(16)11-18/h2-7,10-11H,8-9H2,1H3
InChIKeyFXDGIEFOJUWRAO-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds6

About 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde

4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde (PubChem CID 114844824) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
PubChem CID114844824
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
SMILESCOCCc1ccc(Oc2cc(Cl)ccc2C=O)cc1
InChIInChI=1S/C16H15ClO3/c1-19-9-8-12-2-6-15(7-3-12)20-16-10-14(17)5-4-13(16)11-18/h2-7,10-11H,8-9H2,1H3
InChIKeyFXDGIEFOJUWRAO-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'}

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Related Compounds

3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 81151886
2,4-dichlorobenzaldehyde;2-(4-methoxyphenyl)ethanamine
CID 23291615
4-chloro-2-(3-ethoxyphenoxy)benzaldehyde
CID 114844906
5-chloro-2-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20988288
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde
CID 135357943
4-chloro-2-(3-fluorophenoxy)benzaldehyde
CID 58753975
2-methoxy-4-[2-(4-methylphenyl)ethoxy]benzaldehyde
CID 51340439
2,5-bis(2-methoxyethyl)benzaldehyde
CID 123268427
4-chloro-2-(2,4,5-trichlorophenoxy)benzaldehyde
CID 114844686
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
4-chloro-2-(4-chloro-3-nitrophenoxy)benzaldehyde
CID 86227851
6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole
CID 72945603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The IUPAC name of 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde (CID 114844824) is 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The canonical SMILES for 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde is COCCc1ccc(Oc2cc(Cl)ccc2C=O)cc1.
What is the InChIKey of 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The InChIKey is FXDGIEFOJUWRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-9-8-12-2-6-15(7-3-12)20-16-10-14(17)5-4-13(16)11-18/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde 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-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde is sourced from PubChem (CID 114844824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).