4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde

C18H16O2 — CID 24858678

IUPAC4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(c3ccccc3)C2)o1
InChIInChI=1S/C18H16O2/c1-13-7-10-18(20-13)15-8-9-16(12-19)17(11-15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3
InChIKeyZJJVGOQASSMFIB-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.28
Rot. Bonds3

About 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde

4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24858678) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24858678
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2=CC=C(C=O)C(c3ccccc3)C2)o1
InChIInChI=1S/C18H16O2/c1-13-7-10-18(20-13)15-8-9-16(12-19)17(11-15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3
InChIKeyZJJVGOQASSMFIB-UHFFFAOYSA-N
XLogP4.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde (CID 24858678) is 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde is Cc1ccc(C2=CC=C(C=O)C(c3ccccc3)C2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is ZJJVGOQASSMFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-7-10-18(20-13)15-8-9-16(12-19)17(11-15)14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3.
What are the key properties of 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-6-phenylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24858678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).