6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde

C25H22O2 — CID 16747669

IUPAC6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2(C)CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)o1
InChIInChI=1S/C25H22O2/c1-18-8-15-24(27-18)25(2)16-22(13-14-23(25)17-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3
InChIKeyFMEJHRWXKSRJRG-UHFFFAOYSA-N
MW354.45 g/mol
LogP6.13
Rot. Bonds4

About 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde

6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 16747669) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID16747669
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
SMILESCc1ccc(C2(C)CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)o1
InChIInChI=1S/C25H22O2/c1-18-8-15-24(27-18)25(2)16-22(13-14-23(25)17-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3
InChIKeyFMEJHRWXKSRJRG-UHFFFAOYSA-N
XLogP6.13
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 56.13
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 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde (CID 16747669) is 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde is Cc1ccc(C2(C)CC(c3ccc(-c4ccccc4)cc3)=CC=C2C=O)o1.
What is the InChIKey of 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is FMEJHRWXKSRJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-18-8-15-24(27-18)25(2)16-22(13-14-23(25)17-26)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-15,17H,16H2,1-2H3.
What are the key properties of 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 354.45 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(5-methylfuran-2-yl)-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 16747669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).