2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine

C23H26ClNO — CID 91555402

IUPAC2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine
SMILESCCCC=C(OC1=C(C)CCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClNO/c1-3-4-8-22(18-11-13-20(24)14-12-18)26-23-16-19(10-9-17(23)2)21-7-5-6-15-25-21/h5-8,11-15,19H,3-4,9-10,16H2,1-2H3
InChIKeyAVKAJFJGMHVUAZ-UHFFFAOYSA-N
MW367.92 g/mol
LogP7.13
Rot. Bonds6

About 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine

2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine (PubChem CID 91555402) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine
PubChem CID91555402
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC Name2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine
SMILESCCCC=C(OC1=C(C)CCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C23H26ClNO/c1-3-4-8-22(18-11-13-20(24)14-12-18)26-23-16-19(10-9-17(23)2)21-7-5-6-15-25-21/h5-8,11-15,19H,3-4,9-10,16H2,1-2H3
InChIKeyAVKAJFJGMHVUAZ-UHFFFAOYSA-N
XLogP7.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-1-(4-chlorophenyl)pent-1-enyl]pyridine
CID 121005200
1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine
CID 91385951
(3R)-3-pyridin-2-ylcyclopentan-1-one
CID 39235685
1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 73081244
4-acetyl-7-pyridin-2-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 160934517
4-pyridin-2-ylcyclohexan-1-one
CID 21187660
2-(4-pyridin-2-ylcyclohexylidene)acetic acid
CID 82285129
2-(1,2,3,4-tetrahydrochrysen-2-yl)pyridine
CID 174836526
(2Z)-2-[(2-methoxyphenyl)methylidene]-4-pyridin-2-ylcyclohexan-1-one
CID 68643083
2-(3,5,7-tripyridin-2-ylcyclooctyl)pyridine
CID 58652114
(Z)-3-(4-chlorophenyl)-3-pyridin-2-ylprop-2-enenitrile
CID 122228015
2-[1-(4-chlorophenyl)-3-methylbut-1-enyl]pyridine
CID 86223136

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine?
The IUPAC name of 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine (CID 91555402) is 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine.
What is the SMILES notation for 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine?
The canonical SMILES for 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine is CCCC=C(OC1=C(C)CCC(c2ccccn2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine?
The InChIKey is AVKAJFJGMHVUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO/c1-3-4-8-22(18-11-13-20(24)14-12-18)26-23-16-19(10-9-17(23)2)21-7-5-6-15-25-21/h5-8,11-15,19H,3-4,9-10,16H2,1-2H3.
What are the key properties of 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine?
2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine has a molecular weight of 367.92 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-chlorophenyl)pent-1-enoxy]-4-methylcyclohex-3-en-1-yl]pyridine is sourced from PubChem (CID 91555402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).