2-chloro-6-(2-phenoxyethoxy)benzaldehyde

C15H13ClO3 — CID 28603977

IUPAC2-chloro-6-(2-phenoxyethoxy)benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCCOc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-14-7-4-8-15(13(14)11-17)19-10-9-18-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyXVCXYZKHRNTSRR-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.61
Rot. Bonds6

About 2-chloro-6-(2-phenoxyethoxy)benzaldehyde

2-chloro-6-(2-phenoxyethoxy)benzaldehyde (PubChem CID 28603977) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-6-(2-phenoxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-(2-phenoxyethoxy)benzaldehyde
PubChem CID28603977
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-chloro-6-(2-phenoxyethoxy)benzaldehyde
SMILESO=Cc1c(Cl)cccc1OCCOc1ccccc1
InChIInChI=1S/C15H13ClO3/c16-14-7-4-8-15(13(14)11-17)19-10-9-18-12-5-2-1-3-6-12/h1-8,11H,9-10H2
InChIKeyXVCXYZKHRNTSRR-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501
2-chloro-6-heptoxybenzaldehyde
CID 45282902
2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
CID 18933661
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-(3-phenoxypropoxy)benzaldehyde
CID 60665355
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-chloro-6-(2-methylbutoxy)benzaldehyde
CID 62104198
2-chloro-6-(2,2-diethoxyethoxy)benzaldehyde
CID 114459538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-phenoxyethoxy)benzaldehyde?
The IUPAC name of 2-chloro-6-(2-phenoxyethoxy)benzaldehyde (CID 28603977) is 2-chloro-6-(2-phenoxyethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-6-(2-phenoxyethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-6-(2-phenoxyethoxy)benzaldehyde is O=Cc1c(Cl)cccc1OCCOc1ccccc1.
What is the InChIKey of 2-chloro-6-(2-phenoxyethoxy)benzaldehyde?
The InChIKey is XVCXYZKHRNTSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-14-7-4-8-15(13(14)11-17)19-10-9-18-12-5-2-1-3-6-12/h1-8,11H,9-10H2.
What are the key properties of 2-chloro-6-(2-phenoxyethoxy)benzaldehyde?
2-chloro-6-(2-phenoxyethoxy)benzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-phenoxyethoxy)benzaldehyde is sourced from PubChem (CID 28603977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).