6-methyl-1-benzofuran;toluene

C16H16O — CID 156726353

IUPAC6-methyl-1-benzofuran;toluene
SMILESCc1ccc2ccoc2c1.Cc1ccccc1
InChIInChI=1S/C9H8O.C7H8/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3
InChIKeyOERNHPNVAACOKF-UHFFFAOYSA-N
MW224.30 g/mol
LogP4.74
Rot. Bonds

About 6-methyl-1-benzofuran;toluene

6-methyl-1-benzofuran;toluene (PubChem CID 156726353) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-methyl-1-benzofuran;toluene.

Molecular Properties

Compound Name6-methyl-1-benzofuran;toluene
PubChem CID156726353
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name6-methyl-1-benzofuran;toluene
SMILESCc1ccc2ccoc2c1.Cc1ccccc1
InChIInChI=1S/C9H8O.C7H8/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3
InChIKeyOERNHPNVAACOKF-UHFFFAOYSA-N
XLogP4.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 159816062
1-benzofuran;toluene
CID 162139528
4-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 167605896
6-methyl-2-(4-phenylphenyl)-1-benzofuran
CID 21446826
2-methylanthracene;2-methylnaphthalene;1-methyl-4-phenylbenzene;toluene
CID 161098980
N,N-bis[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-1-benzofuran-6-amine
CID 177098867
methane;2-methyl-6-phenylnaphthalene
CID 144703390
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
benzene;2-methylnaphthalene
CID 159438891

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-benzofuran;toluene?
The IUPAC name of 6-methyl-1-benzofuran;toluene (CID 156726353) is 6-methyl-1-benzofuran;toluene.
What is the SMILES notation for 6-methyl-1-benzofuran;toluene?
The canonical SMILES for 6-methyl-1-benzofuran;toluene is Cc1ccc2ccoc2c1.Cc1ccccc1.
What is the InChIKey of 6-methyl-1-benzofuran;toluene?
The InChIKey is OERNHPNVAACOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.C7H8/c1-7-2-3-8-4-5-10-9(8)6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3.
What are the key properties of 6-methyl-1-benzofuran;toluene?
6-methyl-1-benzofuran;toluene has a molecular weight of 224.30 g/mol, XLogP of 4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-benzofuran;toluene is sourced from PubChem (CID 156726353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).