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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Related Compounds

1-(hydroxymethyl)-5-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 174545418
5,5-difluoro-1-phenylcyclohexa-1,3-diene
CID 21252411
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977
tert-butyl N-(1-formyl-5-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 175485910
1-[1-(1-hydroxy-5-phenylcyclohexa-2,4-dien-1-yl)cyclohexyl]-5-phenylcyclohexa-2,4-dien-1-ol
CID 172714149
5-methoxy-5-methyl-1-phenylcyclohexa-1,3-diene
CID 150430637
dimethyl 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 175230851
1-ethyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699547
bis(prop-2-enyl) 5-phenylcyclohexa-2,4-diene-1,1-dicarboxylate
CID 70131463
5-ethenyl-1-phenyl-5-propylcyclohexa-1,3-diene
CID 175079715
(1-carbazol-9-yl-5-phenylcyclohexa-2,4-dien-1-yl)boronic acid
CID 170986585
9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
CID 174544647

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).