5-methyl-1-benzofuran;6-methyl-1-benzofuran

C18H16O2 — CID 159816062

IUPAC5-methyl-1-benzofuran;6-methyl-1-benzofuran
SMILESCc1ccc2ccoc2c1.Cc1ccc2occc2c1
InChIInChI=1S/2C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2*2-6H,1H3
InChIKeyNLQFIBOWFSJZRB-UHFFFAOYSA-N
MW264.32 g/mol
LogP5.48
Rot. Bonds

About 5-methyl-1-benzofuran;6-methyl-1-benzofuran

5-methyl-1-benzofuran;6-methyl-1-benzofuran (PubChem CID 159816062) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-methyl-1-benzofuran;6-methyl-1-benzofuran.

Molecular Properties

Compound Name5-methyl-1-benzofuran;6-methyl-1-benzofuran
PubChem CID159816062
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name5-methyl-1-benzofuran;6-methyl-1-benzofuran
SMILESCc1ccc2ccoc2c1.Cc1ccc2occc2c1
InChIInChI=1S/2C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2*2-6H,1H3
InChIKeyNLQFIBOWFSJZRB-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

ethane;5-methyl-1-benzofuran;propane
CID 145107108
6-methyl-1-benzofuran;toluene
CID 156726353
4-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 167605896
ethyl formate;5-methyl-1-benzofuran
CID 174830176
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
1-benzofuran;toluene
CID 162139528
1-benzofuran-5-ol
CID 11651159
6-methylchromen-4-one
CID 594810
methane;5-methoxy-1-benzofuran
CID 160759261
1-benzofuran-6-amine;hydrochloride
CID 119057046
6-dimethylphosphoryl-1-benzofuran
CID 137391559
6-tert-butyl-5-methyl-1-benzofuran
CID 155403484

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-benzofuran;6-methyl-1-benzofuran?
The IUPAC name of 5-methyl-1-benzofuran;6-methyl-1-benzofuran (CID 159816062) is 5-methyl-1-benzofuran;6-methyl-1-benzofuran.
What is the SMILES notation for 5-methyl-1-benzofuran;6-methyl-1-benzofuran?
The canonical SMILES for 5-methyl-1-benzofuran;6-methyl-1-benzofuran is Cc1ccc2ccoc2c1.Cc1ccc2occc2c1.
What is the InChIKey of 5-methyl-1-benzofuran;6-methyl-1-benzofuran?
The InChIKey is NLQFIBOWFSJZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8O/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-2-3-8-4-5-10-9(8)6-7/h2*2-6H,1H3.
What are the key properties of 5-methyl-1-benzofuran;6-methyl-1-benzofuran?
5-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 5-methyl-1-benzofuran;6-methyl-1-benzofuran is sourced from PubChem (CID 159816062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).