2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde

C26H24O2 — CID 87274435

IUPAC2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
SMILESO=Cc1cccc(C=O)c1-c1ccccc1-c1ccccc1C1CCCCC1
InChIInChI=1S/C26H24O2/c27-17-20-11-8-12-21(18-28)26(20)25-16-7-6-15-24(25)23-14-5-4-13-22(23)19-9-2-1-3-10-19/h4-8,11-19H,1-3,9-10H2
InChIKeyCMFXKQBTZFMLGT-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.69
Rot. Bonds5

About 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde

2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde (PubChem CID 87274435) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
PubChem CID87274435
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
SMILESO=Cc1cccc(C=O)c1-c1ccccc1-c1ccccc1C1CCCCC1
InChIInChI=1S/C26H24O2/c27-17-20-11-8-12-21(18-28)26(20)25-16-7-6-15-24(25)23-14-5-4-13-22(23)19-9-2-1-3-10-19/h4-8,11-19H,1-3,9-10H2
InChIKeyCMFXKQBTZFMLGT-UHFFFAOYSA-N
XLogP6.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.69
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 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The IUPAC name of 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde (CID 87274435) is 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The canonical SMILES for 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde is O=Cc1cccc(C=O)c1-c1ccccc1-c1ccccc1C1CCCCC1.
What is the InChIKey of 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
The InChIKey is CMFXKQBTZFMLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c27-17-20-11-8-12-21(18-28)26(20)25-16-7-6-15-24(25)23-14-5-4-13-22(23)19-9-2-1-3-10-19/h4-8,11-19H,1-3,9-10H2.
What are the key properties of 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde?
2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde has a molecular weight of 368.48 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 87274435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).