4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde

C19H19FO — CID 81431702

IUPAC4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO/c20-19-12-14(13-21)6-11-18(19)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h6-13,15H,1-5H2
InChIKeyJMDBSRDTJVFKON-UHFFFAOYSA-N
MW282.36 g/mol
LogP5.35
Rot. Bonds3

About 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde

4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde (PubChem CID 81431702) has the molecular formula C19H19FO and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
PubChem CID81431702
Molecular FormulaC19H19FO
Molecular Weight282.36 g/mol
Exact Mass282.14
IUPAC Name4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1
InChIInChI=1S/C19H19FO/c20-19-12-14(13-21)6-11-18(19)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h6-13,15H,1-5H2
InChIKeyJMDBSRDTJVFKON-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.35
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)benzaldehyde
CID 63424597
2-(4-cyclobutylphenyl)-5-fluorobenzaldehyde
CID 114077830
4-cyclohexyl-1-[4-(cyclohexylmethyl)phenyl]-2-fluorobenzene
CID 134447488
3-fluoro-4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]benzaldehyde
CID 86708833
1-(4-cyclobutylphenyl)-4-[4-(cyclopropylmethyl)phenyl]-2-fluorobenzene
CID 166651083
2-(4-cyclobutylphenyl)benzaldehyde
CID 116506540
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
4-(2-fluoro-4-hydroxyphenyl)benzaldehyde
CID 52983987
2-(4-cyclobutylphenyl)-5-fluoroaniline
CID 107626896
4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorobenzaldehyde
CID 163411255

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde?
The IUPAC name of 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde (CID 81431702) is 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde is O=Cc1ccc(-c2ccc(C3CCCCC3)cc2)c(F)c1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde?
The InChIKey is JMDBSRDTJVFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO/c20-19-12-14(13-21)6-11-18(19)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h6-13,15H,1-5H2.
What are the key properties of 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde?
4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde has a molecular weight of 282.36 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-3-fluorobenzaldehyde is sourced from PubChem (CID 81431702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).