4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan

C21H26O2 — CID 102187439

IUPAC4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan
SMILESCOc1ccc2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2c1
InChIInChI=1S/C21H26O2/c1-20(2,3)19-18(23-13-21(19,4)5)15-8-7-14-9-10-17(22-6)12-16(14)11-15/h7-12H,13H2,1-6H3
InChIKeySLTSUWQWXBMDQH-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.66
Rot. Bonds2

About 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan

4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan (PubChem CID 102187439) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan.

Molecular Properties

Compound Name4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan
PubChem CID102187439
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan
SMILESCOc1ccc2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2c1
InChIInChI=1S/C21H26O2/c1-20(2,3)19-18(23-13-21(19,4)5)15-8-7-14-9-10-17(22-6)12-16(14)11-15/h7-12H,13H2,1-6H3
InChIKeySLTSUWQWXBMDQH-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan?
The IUPAC name of 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan (CID 102187439) is 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan.
What is the SMILES notation for 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan?
The canonical SMILES for 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan is COc1ccc2ccc(C3=C(C(C)(C)C)C(C)(C)CO3)cc2c1.
What is the InChIKey of 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan?
The InChIKey is SLTSUWQWXBMDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-20(2,3)19-18(23-13-21(19,4)5)15-8-7-14-9-10-17(22-6)12-16(14)11-15/h7-12H,13H2,1-6H3.
What are the key properties of 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan?
4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan has a molecular weight of 310.44 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-(7-methoxynaphthalen-2-yl)-3,3-dimethyl-2H-furan is sourced from PubChem (CID 102187439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).