4-cyclohex-2-en-1-yloxybenzaldehyde

C13H14O2 — CID 19069252

IUPAC4-cyclohex-2-en-1-yloxybenzaldehyde
SMILESO=Cc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-10,12H,1,3,5H2
InChIKeyMDXVQAVZLPBBHD-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.99
Rot. Bonds3

About 4-cyclohex-2-en-1-yloxybenzaldehyde

4-cyclohex-2-en-1-yloxybenzaldehyde (PubChem CID 19069252) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yloxybenzaldehyde.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yloxybenzaldehyde
PubChem CID19069252
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-cyclohex-2-en-1-yloxybenzaldehyde
SMILESO=Cc1ccc(OC2C=CCCC2)cc1
InChIInChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-10,12H,1,3,5H2
InChIKeyMDXVQAVZLPBBHD-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-cyclohex-2-en-1-yloxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yloxybenzaldehyde?
The IUPAC name of 4-cyclohex-2-en-1-yloxybenzaldehyde (CID 19069252) is 4-cyclohex-2-en-1-yloxybenzaldehyde.
What is the SMILES notation for 4-cyclohex-2-en-1-yloxybenzaldehyde?
The canonical SMILES for 4-cyclohex-2-en-1-yloxybenzaldehyde is O=Cc1ccc(OC2C=CCCC2)cc1.
What is the InChIKey of 4-cyclohex-2-en-1-yloxybenzaldehyde?
The InChIKey is MDXVQAVZLPBBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h2,4,6-10,12H,1,3,5H2.
What are the key properties of 4-cyclohex-2-en-1-yloxybenzaldehyde?
4-cyclohex-2-en-1-yloxybenzaldehyde has a molecular weight of 202.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yloxybenzaldehyde is sourced from PubChem (CID 19069252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).