5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde

C14H12O2 — CID 130276656

IUPAC5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H12O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyJHPKSRZYUSLRDI-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.41
Rot. Bonds3

About 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde

5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde (PubChem CID 130276656) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde.

Molecular Properties

Compound Name5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde
PubChem CID130276656
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde
SMILESO=CC1(C=O)C=CC=C(c2ccccc2)C1
InChIInChI=1S/C14H12O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10-11H,9H2
InChIKeyJHPKSRZYUSLRDI-UHFFFAOYSA-N
XLogP2.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde?
The IUPAC name of 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde (CID 130276656) is 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde.
What is the SMILES notation for 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde?
The canonical SMILES for 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde is O=CC1(C=O)C=CC=C(c2ccccc2)C1.
What is the InChIKey of 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde?
The InChIKey is JHPKSRZYUSLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-10-14(11-16)8-4-7-13(9-14)12-5-2-1-3-6-12/h1-8,10-11H,9H2.
What are the key properties of 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde?
5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylcyclohexa-2,4-diene-1,1-dicarbaldehyde is sourced from PubChem (CID 130276656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).