4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde

C16H14Cl2O4 — CID 2899329

IUPAC4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O4/c1-20-16-8-11(10-19)2-5-14(16)21-6-7-22-15-9-12(17)3-4-13(15)18/h2-5,8-10H,6-7H2,1H3
InChIKeyXAHZXVOTHMJIPT-UHFFFAOYSA-N
MW341.19 g/mol
LogP4.27
Rot. Bonds7

About 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde

4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde (PubChem CID 2899329) has the molecular formula C16H14Cl2O4 and a molecular weight of 341.19 g/mol. Its IUPAC name is 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
PubChem CID2899329
Molecular FormulaC16H14Cl2O4
Molecular Weight341.19 g/mol
Exact Mass340.03
IUPAC Name4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde
SMILESCOc1cc(C=O)ccc1OCCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2O4/c1-20-16-8-11(10-19)2-5-14(16)21-6-7-22-15-9-12(17)3-4-13(15)18/h2-5,8-10H,6-7H2,1H3
InChIKeyXAHZXVOTHMJIPT-UHFFFAOYSA-N
XLogP4.27
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(2-chloro-5-methylphenoxy)propoxy]-3-methoxybenzaldehyde
CID 2292017
4-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2283387
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-methoxy-3-[2-(2,4,6-trichlorophenoxy)ethoxy]benzaldehyde
CID 20985477
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[3-(4-bromo-2-chlorophenoxy)propoxy]-3-methoxybenzaldehyde
CID 2283415
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
4-[2-(2-chloro-4-nitrophenoxy)ethoxy]-3-methoxybenzaldehyde
CID 2284581
3-methoxy-4-[2-(4-propan-2-ylphenoxy)ethoxy]benzaldehyde
CID 22684618
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde?
The IUPAC name of 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde (CID 2899329) is 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde is COc1cc(C=O)ccc1OCCOc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde?
The InChIKey is XAHZXVOTHMJIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O4/c1-20-16-8-11(10-19)2-5-14(16)21-6-7-22-15-9-12(17)3-4-13(15)18/h2-5,8-10H,6-7H2,1H3.
What are the key properties of 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde?
4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde has a molecular weight of 341.19 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,5-dichlorophenoxy)ethoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 2899329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).