2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine

C27H31NO2 — CID 66995241

IUPAC2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2cccc3c2CCCC3)cn1
InChIInChI=1S/C27H31NO2/c1-4-19-11-8-12-20(5-2)27(19)24-16-26(29-3)22(17-28-24)18-30-25-15-9-13-21-10-6-7-14-23(21)25/h8-9,11-13,15-17H,4-7,10,14,18H2,1-3H3
InChIKeyWTESKYJGFGYQAB-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.34
Rot. Bonds7

About 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine

2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine (PubChem CID 66995241) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
PubChem CID66995241
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine
SMILESCCc1cccc(CC)c1-c1cc(OC)c(COc2cccc3c2CCCC3)cn1
InChIInChI=1S/C27H31NO2/c1-4-19-11-8-12-20(5-2)27(19)24-16-26(29-3)22(17-28-24)18-30-25-15-9-13-21-10-6-7-14-23(21)25/h8-9,11-13,15-17H,4-7,10,14,18H2,1-3H3
InChIKeyWTESKYJGFGYQAB-UHFFFAOYSA-N
XLogP6.34
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-chloro-2-fluorophenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994574
5-[(2-chloro-4-methoxyphenoxy)methyl]-2-(2,6-diethylphenyl)-4-methoxypyridine
CID 66994791
N-(2-methoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100747328
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
[6-(2,6-diethylphenyl)-4-methoxy-3-pyridinyl]-phenylmethanol
CID 59678346
[6-(2,6-diethylphenyl)-4-ethoxy-3-pyridinyl]methanol
CID 66994306
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133199402
N-(2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100765455
N-[(2-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100721805
2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetic acid;undecane
CID 144530231
2-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyrimidin-5-amine
CID 82299255
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine (CID 66995241) is 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine is CCc1cccc(CC)c1-c1cc(OC)c(COc2cccc3c2CCCC3)cn1.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine?
The InChIKey is WTESKYJGFGYQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c1-4-19-11-8-12-20(5-2)27(19)24-16-26(29-3)22(17-28-24)18-30-25-15-9-13-21-10-6-7-14-23(21)25/h8-9,11-13,15-17H,4-7,10,14,18H2,1-3H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine?
2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine has a molecular weight of 401.55 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methoxy-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)pyridine is sourced from PubChem (CID 66995241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).