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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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).