4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde

C19H16O — CID 24859121

IUPAC4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H16O/c20-14-18-12-11-17(15-7-3-1-4-8-15)13-19(18)16-9-5-2-6-10-16/h1-12,14,19H,13H2
InChIKeyVDWGQJBPYJTETH-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.38
Rot. Bonds3

About 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde

4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859121) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859121
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESO=CC1=CC=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C19H16O/c20-14-18-12-11-17(15-7-3-1-4-8-15)13-19(18)16-9-5-2-6-10-16/h1-12,14,19H,13H2
InChIKeyVDWGQJBPYJTETH-UHFFFAOYSA-N
XLogP4.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859121) is 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde is O=CC1=CC=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is VDWGQJBPYJTETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c20-14-18-12-11-17(15-7-3-1-4-8-15)13-19(18)16-9-5-2-6-10-16/h1-12,14,19H,13H2.
What are the key properties of 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde?
4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).