4-(2-cyclohexyloxyethoxy)benzaldehyde

C15H20O3 — CID 87224596

IUPAC4-(2-cyclohexyloxyethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCOC2CCCCC2)cc1
InChIInChI=1S/C15H20O3/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2
InChIKeyRPIHKBJNDREALA-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds6

About 4-(2-cyclohexyloxyethoxy)benzaldehyde

4-(2-cyclohexyloxyethoxy)benzaldehyde (PubChem CID 87224596) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 4-(2-cyclohexyloxyethoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2-cyclohexyloxyethoxy)benzaldehyde
PubChem CID87224596
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name4-(2-cyclohexyloxyethoxy)benzaldehyde
SMILESO=Cc1ccc(OCCOC2CCCCC2)cc1
InChIInChI=1S/C15H20O3/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2
InChIKeyRPIHKBJNDREALA-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
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

1-(2-cyclopentyloxyethoxy)-4-ethenylbenzene
CID 57238623
1-(2-cyclohexyloxyethoxy)-4-ethenylbenzene;4-ethenylphenol
CID 157201478
[4-(2-cyclohexyloxyethoxy)phenyl]methanamine
CID 43253949
[4-(2-cycloheptyloxyethoxy)phenyl]methanamine
CID 61069915
4-[(4-cyclohexyloxyphenyl)methoxy]benzaldehyde
CID 87615692
4-cyclopentyloxybenzaldehyde
CID 3152724
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-[(4-cyclopentyloxyphenyl)methoxy]benzaldehyde
CID 87614482
1-[4-(2-cyclohexyloxyethoxy)phenyl]-N-methylmethanamine
CID 55073152
1-(2-cyclopentyloxyethoxy)-4-phenylmethoxybenzene
CID 13187522
cyclohexanamine;4-[3-(dimethylamino)propoxy]benzaldehyde
CID 23291684

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyloxyethoxy)benzaldehyde?
The IUPAC name of 4-(2-cyclohexyloxyethoxy)benzaldehyde (CID 87224596) is 4-(2-cyclohexyloxyethoxy)benzaldehyde.
What is the SMILES notation for 4-(2-cyclohexyloxyethoxy)benzaldehyde?
The canonical SMILES for 4-(2-cyclohexyloxyethoxy)benzaldehyde is O=Cc1ccc(OCCOC2CCCCC2)cc1.
What is the InChIKey of 4-(2-cyclohexyloxyethoxy)benzaldehyde?
The InChIKey is RPIHKBJNDREALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-12-13-6-8-15(9-7-13)18-11-10-17-14-4-2-1-3-5-14/h6-9,12,14H,1-5,10-11H2.
What are the key properties of 4-(2-cyclohexyloxyethoxy)benzaldehyde?
4-(2-cyclohexyloxyethoxy)benzaldehyde has a molecular weight of 248.32 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyloxyethoxy)benzaldehyde is sourced from PubChem (CID 87224596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).