3-(cyclohexen-1-yl)-4-methoxybenzaldehyde

C14H16O2 — CID 166845067

IUPAC3-(cyclohexen-1-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1C1=CCCCC1
InChIInChI=1S/C14H16O2/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h5,7-10H,2-4,6H2,1H3
InChIKeyDSSDUARMJVJLDW-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.47
Rot. Bonds3

About 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde

3-(cyclohexen-1-yl)-4-methoxybenzaldehyde (PubChem CID 166845067) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(cyclohexen-1-yl)-4-methoxybenzaldehyde
PubChem CID166845067
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3-(cyclohexen-1-yl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1C1=CCCCC1
InChIInChI=1S/C14H16O2/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h5,7-10H,2-4,6H2,1H3
InChIKeyDSSDUARMJVJLDW-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.47
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

Avobenzone
CID 51040
4'-Methoxyacetophenone
CID 7476
4-Methoxybenzaldehyde
CID 31244
Methyl anisate
CID 8499
3-Methoxybenzaldehyde
CID 11569
4'-Methoxychalcone
CID 641818
4-Ethoxybenzaldehyde
CID 24834
2-Methoxybenzaldehyde
CID 8658
Ethyl anisate
CID 60979
3-Methylchromone
CID 66569
Chromone
CID 10286
2'-Methoxyacetophenone
CID 68481

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde?
The IUPAC name of 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde (CID 166845067) is 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1C1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde?
The InChIKey is DSSDUARMJVJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-14-8-7-11(10-15)9-13(14)12-5-3-2-4-6-12/h5,7-10H,2-4,6H2,1H3.
What are the key properties of 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde?
3-(cyclohexen-1-yl)-4-methoxybenzaldehyde has a molecular weight of 216.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-yl)-4-methoxybenzaldehyde is sourced from PubChem (CID 166845067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).