4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine

C22H23NOS — CID 70037330

IUPAC4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)cc1
InChIInChI=1S/C22H23NOS/c1-24-18-9-7-17(8-10-18)21-11-12-22(25-21)20-15-23-14-13-19(20)16-5-3-2-4-6-16/h7-16H,2-6H2,1H3
InChIKeyHXNXHIXPTYONFZ-UHFFFAOYSA-N
MW349.50 g/mol
LogP6.53
Rot. Bonds4

About 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine

4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine (PubChem CID 70037330) has the molecular formula C22H23NOS and a molecular weight of 349.50 g/mol. Its IUPAC name is 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
PubChem CID70037330
Molecular FormulaC22H23NOS
Molecular Weight349.50 g/mol
Exact Mass349.15
IUPAC Name4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
SMILESCOc1ccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)cc1
InChIInChI=1S/C22H23NOS/c1-24-18-9-7-17(8-10-18)21-11-12-22(25-21)20-15-23-14-13-19(20)16-5-3-2-4-6-16/h7-16H,2-6H2,1H3
InChIKeyHXNXHIXPTYONFZ-UHFFFAOYSA-N
XLogP6.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The IUPAC name of 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine (CID 70037330) is 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The canonical SMILES for 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine is COc1ccc(-c2ccc(-c3cnccc3C3CCCCC3)s2)cc1.
What is the InChIKey of 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
The InChIKey is HXNXHIXPTYONFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NOS/c1-24-18-9-7-17(8-10-18)21-11-12-22(25-21)20-15-23-14-13-19(20)16-5-3-2-4-6-16/h7-16H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine?
4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine has a molecular weight of 349.50 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 70037330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).