2-chloro-4-cyclohexyloxybenzaldehyde

C13H15ClO2 — CID 87224710

IUPAC2-chloro-4-cyclohexyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyIDCMHZPUDJEMSR-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.86
Rot. Bonds3

About 2-chloro-4-cyclohexyloxybenzaldehyde

2-chloro-4-cyclohexyloxybenzaldehyde (PubChem CID 87224710) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-chloro-4-cyclohexyloxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-4-cyclohexyloxybenzaldehyde
PubChem CID87224710
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-chloro-4-cyclohexyloxybenzaldehyde
SMILESO=Cc1ccc(OC2CCCCC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChIKeyIDCMHZPUDJEMSR-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethoxybenzaldehyde
CID 24834
4-Phenoxybenzaldehyde
CID 66139
4-Chloro-4'-methoxychalcone
CID 5302715
4-Isopropoxybenzaldehyde
CID 250077
2-Chloro-4'-methoxychalcone
CID 5354554
1-[2-Chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
4-Propoxybenzaldehyde
CID 79812
Benzaldehyde, 4-(phenylmethoxy)-
CID 78109
4,4'-Oxybis(benzoyl Chloride)
CID 23546
4-(Allyloxy)benzaldehyde
CID 95942
4-Butoxybenzaldehyde
CID 79813
1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyclohexyloxybenzaldehyde?
The IUPAC name of 2-chloro-4-cyclohexyloxybenzaldehyde (CID 87224710) is 2-chloro-4-cyclohexyloxybenzaldehyde.
What is the SMILES notation for 2-chloro-4-cyclohexyloxybenzaldehyde?
The canonical SMILES for 2-chloro-4-cyclohexyloxybenzaldehyde is O=Cc1ccc(OC2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-cyclohexyloxybenzaldehyde?
The InChIKey is IDCMHZPUDJEMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11/h6-9,11H,1-5H2.
What are the key properties of 2-chloro-4-cyclohexyloxybenzaldehyde?
2-chloro-4-cyclohexyloxybenzaldehyde has a molecular weight of 238.71 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyclohexyloxybenzaldehyde is sourced from PubChem (CID 87224710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).