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2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine

C24H33NO2 — CID 118894139

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
SMILESCOc1cc2c(cc1OCc1ccccn1)CCC(C(C)C)C2C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-16(2)19-11-10-17-13-22(27-15-18-9-7-8-12-25-18)21(26-6)14-20(17)23(19)24(3,4)5/h7-9,12-14,16,19,23H,10-11,15H2,1-6H3
InChIKeyPOAQOVSFKSQRAE-UHFFFAOYSA-N
MW367.53 g/mol
LogP6.02
Rot. Bonds5

About 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine

2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine (PubChem CID 118894139) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine.

Molecular Properties

Compound Name2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
PubChem CID118894139
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine
SMILESCOc1cc2c(cc1OCc1ccccn1)CCC(C(C)C)C2C(C)(C)C
InChIInChI=1S/C24H33NO2/c1-16(2)19-11-10-17-13-22(27-15-18-9-7-8-12-25-18)21(26-6)14-20(17)23(19)24(3,4)5/h7-9,12-14,16,19,23H,10-11,15H2,1-6H3
InChIKeyPOAQOVSFKSQRAE-UHFFFAOYSA-N
XLogP6.02
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The IUPAC name of 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine (CID 118894139) is 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine.
What is the SMILES notation for 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The canonical SMILES for 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine is COc1cc2c(cc1OCc1ccccn1)CCC(C(C)C)C2C(C)(C)C.
What is the InChIKey of 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
The InChIKey is POAQOVSFKSQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-16(2)19-11-10-17-13-22(27-15-18-9-7-8-12-25-18)21(26-6)14-20(17)23(19)24(3,4)5/h7-9,12-14,16,19,23H,10-11,15H2,1-6H3.
What are the key properties of 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine?
2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine has a molecular weight of 367.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-3-methoxy-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl)oxymethyl]pyridine is sourced from PubChem (CID 118894139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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