2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde

C15H19ClO3 — CID 121004868

IUPAC2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCOC2CCCCC2)c1Cl
InChIInChI=1S/C15H19ClO3/c16-15-12(11-17)5-4-8-14(15)19-10-9-18-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2
InChIKeyVMFCRLLMVNGBCY-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.88
Rot. Bonds6

About 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde

2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde (PubChem CID 121004868) has the molecular formula C15H19ClO3 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde
PubChem CID121004868
Molecular FormulaC15H19ClO3
Molecular Weight282.77 g/mol
Exact Mass282.10
IUPAC Name2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCOC2CCCCC2)c1Cl
InChIInChI=1S/C15H19ClO3/c16-15-12(11-17)5-4-8-14(15)19-10-9-18-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2
InChIKeyVMFCRLLMVNGBCY-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde?
The IUPAC name of 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde (CID 121004868) is 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde?
The canonical SMILES for 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde is O=Cc1cccc(OCCOC2CCCCC2)c1Cl.
What is the InChIKey of 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde?
The InChIKey is VMFCRLLMVNGBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3/c16-15-12(11-17)5-4-8-14(15)19-10-9-18-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2.
What are the key properties of 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde?
2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde has a molecular weight of 282.77 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-cyclohexyloxyethoxy)benzaldehyde is sourced from PubChem (CID 121004868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).