3-(4-cyclohexylphenyl)benzaldehyde

C19H20O — CID 63424597

IUPAC3-(4-cyclohexylphenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H20O/c20-14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2
InChIKeyQALFPNNJUVCSAK-UHFFFAOYSA-N
MW264.37 g/mol
LogP5.21
Rot. Bonds3

About 3-(4-cyclohexylphenyl)benzaldehyde

3-(4-cyclohexylphenyl)benzaldehyde (PubChem CID 63424597) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(4-cyclohexylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(4-cyclohexylphenyl)benzaldehyde
PubChem CID63424597
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name3-(4-cyclohexylphenyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C19H20O/c20-14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2
InChIKeyQALFPNNJUVCSAK-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.37
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-cycloheptylbenzaldehyde
CID 21484445
4-cyclooctylbenzaldehyde
CID 12923818
3-(4-cyclohexylphenyl)aniline
CID 55198652
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
CID 81431702
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
1-cyclopentyl-4-(4-cyclopentylphenyl)benzene;hydrogen peroxide
CID 175056737
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-bromo-4-(4-cyclohexylphenyl)-2-phenylbenzene
CID 150910002
3-(4-nitrophenyl)benzaldehyde
CID 46193459
N-[4-(4-cyclohexylphenyl)phenyl]-4-phenylaniline
CID 171439106
[4-(3-formylphenyl)phenyl]boronic acid
CID 23005401

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohexylphenyl)benzaldehyde?
The IUPAC name of 3-(4-cyclohexylphenyl)benzaldehyde (CID 63424597) is 3-(4-cyclohexylphenyl)benzaldehyde.
What is the SMILES notation for 3-(4-cyclohexylphenyl)benzaldehyde?
The canonical SMILES for 3-(4-cyclohexylphenyl)benzaldehyde is O=Cc1cccc(-c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of 3-(4-cyclohexylphenyl)benzaldehyde?
The InChIKey is QALFPNNJUVCSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c20-14-15-5-4-8-19(13-15)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2.
What are the key properties of 3-(4-cyclohexylphenyl)benzaldehyde?
3-(4-cyclohexylphenyl)benzaldehyde has a molecular weight of 264.37 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohexylphenyl)benzaldehyde is sourced from PubChem (CID 63424597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).