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

C16H15ClO3 — CID 81151886

IUPAC3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
SMILESCOCCc1ccc(Oc2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-18)10-15(16)17/h2-7,10-11H,8-9H2,1H3
InChIKeyDSYCUTDSXKELQH-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.13
Rot. Bonds6

About 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde

3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde (PubChem CID 81151886) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
PubChem CID81151886
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
SMILESCOCCc1ccc(Oc2ccc(C=O)cc2Cl)cc1
InChIInChI=1S/C16H15ClO3/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-18)10-15(16)17/h2-7,10-11H,8-9H2,1H3
InChIKeyDSYCUTDSXKELQH-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-ethylphenoxy)benzaldehyde
CID 81151574
4-chloro-2-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 114844824
4-(4-tert-butylphenoxy)-3-chlorobenzaldehyde
CID 81151884
3-chloro-4-(4-chloro-3-methylphenoxy)benzaldehyde
CID 81145845
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
CID 80631991
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
3-chloro-4-(3-chlorophenoxy)benzaldehyde
CID 81152636
4-(bromomethyl)-2-fluoro-1-[4-(2-methoxyethyl)phenoxy]benzene
CID 107087633
3-chloro-4-(4-chlorophenoxy)benzaldehyde;3-chloro-4-fluorobenzaldehyde;4-chlorophenol
CID 164986492
3-chloro-4-(2-chloro-5-methylphenoxy)benzaldehyde
CID 81152103
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The IUPAC name of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde (CID 81151886) is 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The canonical SMILES for 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde is COCCc1ccc(Oc2ccc(C=O)cc2Cl)cc1.
What is the InChIKey of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
The InChIKey is DSYCUTDSXKELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-19-9-8-12-2-5-14(6-3-12)20-16-7-4-13(11-18)10-15(16)17/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde?
3-chloro-4-[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 3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde is sourced from PubChem (CID 81151886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).