1,5,8-trimethylazuleno[6,5-b]furan

C15H14O — CID 656393

IUPAC1,5,8-trimethylazuleno[6,5-b]furan
SMILESCc1cc2occ(C)c2cc2c(C)ccc1-2
InChIInChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3
InChIKeyLMVGRKPOXLBIFQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.46
Rot. Bonds

About 1,5,8-trimethylazuleno[6,5-b]furan

1,5,8-trimethylazuleno[6,5-b]furan (PubChem CID 656393) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,5,8-trimethylazuleno[6,5-b]furan.

Molecular Properties

Compound Name1,5,8-trimethylazuleno[6,5-b]furan
PubChem CID656393
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1,5,8-trimethylazuleno[6,5-b]furan
SMILESCc1cc2occ(C)c2cc2c(C)ccc1-2
InChIInChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3
InChIKeyLMVGRKPOXLBIFQ-UHFFFAOYSA-N
XLogP4.46
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5,8-trimethylazuleno[6,5-b]furan?
The IUPAC name of 1,5,8-trimethylazuleno[6,5-b]furan (CID 656393) is 1,5,8-trimethylazuleno[6,5-b]furan.
What is the SMILES notation for 1,5,8-trimethylazuleno[6,5-b]furan?
The canonical SMILES for 1,5,8-trimethylazuleno[6,5-b]furan is Cc1cc2occ(C)c2cc2c(C)ccc1-2.
What is the InChIKey of 1,5,8-trimethylazuleno[6,5-b]furan?
The InChIKey is LMVGRKPOXLBIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-9-4-5-12-10(2)6-15-14(7-13(9)12)11(3)8-16-15/h4-8H,1-3H3.
What are the key properties of 1,5,8-trimethylazuleno[6,5-b]furan?
1,5,8-trimethylazuleno[6,5-b]furan has a molecular weight of 210.28 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,8-trimethylazuleno[6,5-b]furan is sourced from PubChem (CID 656393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).