3-cyclohexyl-2-methylbenzaldehyde

C14H18O — CID 15107628

IUPAC3-cyclohexyl-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1C1CCCCC1
InChIInChI=1S/C14H18O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyHHMFEOWIYKNYOK-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.86
Rot. Bonds2

About 3-cyclohexyl-2-methylbenzaldehyde

3-cyclohexyl-2-methylbenzaldehyde (PubChem CID 15107628) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-cyclohexyl-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-cyclohexyl-2-methylbenzaldehyde
PubChem CID15107628
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-cyclohexyl-2-methylbenzaldehyde
SMILESCc1c(C=O)cccc1C1CCCCC1
InChIInChI=1S/C14H18O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3
InChIKeyHHMFEOWIYKNYOK-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phthalaldehyde
CID 4807
alpha-Hexylcinnamaldehyde
CID 1550884
2-Methylbenzaldehyde
CID 10722
1-Naphthaldehyde
CID 6195
4-Ethylbenzaldehyde
CID 20861
Cuminaldehyde
CID 326
2,4,6-Trimethylbenzaldehyde
CID 10254
2-Phenylpropanal
CID 7146
3-Methylbenzaldehyde
CID 12105
2,4-Dimethylacetophenone
CID 6985
2,4-Dimethylbenzaldehyde
CID 61814
Cyclohexyl phenyl ketone
CID 12837

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methylbenzaldehyde?
The IUPAC name of 3-cyclohexyl-2-methylbenzaldehyde (CID 15107628) is 3-cyclohexyl-2-methylbenzaldehyde.
What is the SMILES notation for 3-cyclohexyl-2-methylbenzaldehyde?
The canonical SMILES for 3-cyclohexyl-2-methylbenzaldehyde is Cc1c(C=O)cccc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-2-methylbenzaldehyde?
The InChIKey is HHMFEOWIYKNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h5,8-10,12H,2-4,6-7H2,1H3.
What are the key properties of 3-cyclohexyl-2-methylbenzaldehyde?
3-cyclohexyl-2-methylbenzaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methylbenzaldehyde is sourced from PubChem (CID 15107628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).