4-methyl-1-benzofuran;6-methyl-1-benzofuran

C18H16O2 — CID 167605896

IUPAC4-methyl-1-benzofuran;6-methyl-1-benzofuran
SMILESCc1ccc2ccoc2c1.Cc1cccc2occc12
InChIInChI=1S/2C9H8O/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9/h2*2-6H,1H3
InChIKeyKJKWMDSPJZXSJJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP5.48
Rot. Bonds

About 4-methyl-1-benzofuran;6-methyl-1-benzofuran

4-methyl-1-benzofuran;6-methyl-1-benzofuran (PubChem CID 167605896) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-1-benzofuran;6-methyl-1-benzofuran.

Molecular Properties

Compound Name4-methyl-1-benzofuran;6-methyl-1-benzofuran
PubChem CID167605896
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name4-methyl-1-benzofuran;6-methyl-1-benzofuran
SMILESCc1ccc2ccoc2c1.Cc1cccc2occc12
InChIInChI=1S/2C9H8O/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9/h2*2-6H,1H3
InChIKeyKJKWMDSPJZXSJJ-UHFFFAOYSA-N
XLogP5.48
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.32
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-benzofuran;toluene
CID 156726353
5-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 159816062
1-benzofuran;toluene
CID 162139528
2,9-dimethylpicene
CID 15509
ethane;5-methyl-1-benzofuran;propane
CID 145107108
6-methylchromen-4-one
CID 594810
1,6-dimethylphenanthrene;ethane
CID 144939314
4-bromo-1-benzofuran;ethane
CID 166455445
1,6-dimethylanthracene;ethane
CID 142009331
4-chloro-6-methyl-1-benzofuran
CID 130062929
6-fluoro-4-methyl-1-benzofuran
CID 66806743
3,6-dimethyldibenzofuran;ethane
CID 142097287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-benzofuran;6-methyl-1-benzofuran?
The IUPAC name of 4-methyl-1-benzofuran;6-methyl-1-benzofuran (CID 167605896) is 4-methyl-1-benzofuran;6-methyl-1-benzofuran.
What is the SMILES notation for 4-methyl-1-benzofuran;6-methyl-1-benzofuran?
The canonical SMILES for 4-methyl-1-benzofuran;6-methyl-1-benzofuran is Cc1ccc2ccoc2c1.Cc1cccc2occc12.
What is the InChIKey of 4-methyl-1-benzofuran;6-methyl-1-benzofuran?
The InChIKey is KJKWMDSPJZXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-3-2-4-9-8(7)5-6-10-9/h2*2-6H,1H3.
What are the key properties of 4-methyl-1-benzofuran;6-methyl-1-benzofuran?
4-methyl-1-benzofuran;6-methyl-1-benzofuran has a molecular weight of 264.32 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-benzofuran;6-methyl-1-benzofuran is sourced from PubChem (CID 167605896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).