2-(2,6-ditert-butylnaphthalen-1-yl)furan

C22H26O — CID 169050461

IUPAC2-(2,6-ditert-butylnaphthalen-1-yl)furan
SMILESCC(C)(C)c1ccc2c(-c3ccco3)c(C(C)(C)C)ccc2c1
InChIInChI=1S/C22H26O/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3
InChIKeyNBYJISFAEWHMNS-UHFFFAOYSA-N
MW306.45 g/mol
LogP6.69
Rot. Bonds1

About 2-(2,6-ditert-butylnaphthalen-1-yl)furan

2-(2,6-ditert-butylnaphthalen-1-yl)furan (PubChem CID 169050461) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2,6-ditert-butylnaphthalen-1-yl)furan.

Molecular Properties

Compound Name2-(2,6-ditert-butylnaphthalen-1-yl)furan
PubChem CID169050461
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name2-(2,6-ditert-butylnaphthalen-1-yl)furan
SMILESCC(C)(C)c1ccc2c(-c3ccco3)c(C(C)(C)C)ccc2c1
InChIInChI=1S/C22H26O/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3
InChIKeyNBYJISFAEWHMNS-UHFFFAOYSA-N
XLogP6.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,6-ditert-butylnaphthalen-1-yl)thiophene
CID 169050425
2-[3,6-ditert-butyl-7-(furan-2-yl)naphthalen-2-yl]furan
CID 169050457
1-(2-amino-6-tert-butylnaphthalen-1-yl)-6-tert-butylnaphthalen-2-amine
CID 118283497
2-(2,7-ditert-butylphenanthren-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 57206677
2-bromo-6-(2,6-ditert-butylanthracen-9-yl)pyridine
CID 131964922
3,8-bis(2,6-ditert-butylnaphthalen-1-yl)fluoranthene;2-(7-phenanthren-2-ylnaphthalen-2-yl)phenanthrene
CID 159989341
6-tert-butyl-1-methylnaphthalene
CID 3019609
1,7-ditert-butylnaphthalene
CID 59350345
2-[2,6-ditert-butyl-5-(1,3-oxazol-2-yl)naphthalen-1-yl]-1,3-oxazole
CID 169050079
5-tert-butyl-2-(furan-2-yl)pyridine
CID 165372306
2,6-ditert-butylanthracene
CID 15740416
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-ditert-butylnaphthalen-1-yl)furan?
The IUPAC name of 2-(2,6-ditert-butylnaphthalen-1-yl)furan (CID 169050461) is 2-(2,6-ditert-butylnaphthalen-1-yl)furan.
What is the SMILES notation for 2-(2,6-ditert-butylnaphthalen-1-yl)furan?
The canonical SMILES for 2-(2,6-ditert-butylnaphthalen-1-yl)furan is CC(C)(C)c1ccc2c(-c3ccco3)c(C(C)(C)C)ccc2c1.
What is the InChIKey of 2-(2,6-ditert-butylnaphthalen-1-yl)furan?
The InChIKey is NBYJISFAEWHMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-21(2,3)16-10-11-17-15(14-16)9-12-18(22(4,5)6)20(17)19-8-7-13-23-19/h7-14H,1-6H3.
What are the key properties of 2-(2,6-ditert-butylnaphthalen-1-yl)furan?
2-(2,6-ditert-butylnaphthalen-1-yl)furan has a molecular weight of 306.45 g/mol, XLogP of 6.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-ditert-butylnaphthalen-1-yl)furan is sourced from PubChem (CID 169050461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).