4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde

C20H22ClNO — CID 19094948

IUPAC4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(CCc2ccc(-c3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C20H22ClNO/c21-19-10-8-18(9-11-19)20-12-7-16(13-22-20)4-1-15-2-5-17(14-23)6-3-15/h7-15,17H,1-6H2
InChIKeyWYZUMWXQLZNSBR-UHFFFAOYSA-N
MW327.86 g/mol
LogP5.34
Rot. Bonds5

About 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde

4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde (PubChem CID 19094948) has the molecular formula C20H22ClNO and a molecular weight of 327.86 g/mol. Its IUPAC name is 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde
PubChem CID19094948
Molecular FormulaC20H22ClNO
Molecular Weight327.86 g/mol
Exact Mass327.14
IUPAC Name4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(CCc2ccc(-c3ccc(Cl)cc3)nc2)CC1
InChIInChI=1S/C20H22ClNO/c21-19-10-8-18(9-11-19)20-12-7-16(13-22-20)4-1-15-2-5-17(14-23)6-3-15/h7-15,17H,1-6H2
InChIKeyWYZUMWXQLZNSBR-UHFFFAOYSA-N
XLogP5.34
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.86
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-5-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]pyridine
CID 19094961
2-(4-ethylphenyl)-5-[2-(4-pentylcyclohexyl)ethyl]pyridine
CID 18635627
5-octyl-2-[4-[2-(4-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 18609154
5-ethyl-2-[4-[2-(4-octylcyclohexyl)ethyl]phenyl]pyridine
CID 18609134
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
5-decyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424953
5-heptyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424950
5-hexyl-2-[4-[4-(4-pentylcyclohexyl)butyl]phenyl]pyridine
CID 154424949
1-chloro-4-(2-cyclohexylethyl)benzene
CID 142983439
5-hexyl-2-[4-[(E)-4-(4-pentylcyclohexyl)but-3-enyl]phenyl]pyridine
CID 67786870
5-ethoxy-2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]pyridine
CID 18609094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde (CID 19094948) is 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde is O=CC1CCC(CCc2ccc(-c3ccc(Cl)cc3)nc2)CC1.
What is the InChIKey of 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde?
The InChIKey is WYZUMWXQLZNSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO/c21-19-10-8-18(9-11-19)20-12-7-16(13-22-20)4-1-15-2-5-17(14-23)6-3-15/h7-15,17H,1-6H2.
What are the key properties of 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde?
4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde has a molecular weight of 327.86 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-chlorophenyl)-3-pyridinyl]ethyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 19094948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).