2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene

C77H86O7 — CID 160823214

About 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene

2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 160823214) has the molecular formula C77H86O7 and a molecular weight of 1123.53 g/mol. Its IUPAC name is 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 160823214
• Molecular Formula: C77H86O7
• Molecular Weight: 1123.53 g/mol
• Exact Mass: 1122.64
• IUPAC Name: 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene
• SMILES: CC1=Cc2ccccc2C1.CC1C=Cc2ccccc2O1.CC1CCc2ccccc2C1.CC1CCc2ccccc2O1.CC1COc2ccccc2O1.CC1Cc2ccccc2C1.CC1Cc2ccccc2O1.CC1Oc2ccccc2O1
• InChI: InChI=1S/C11H14.C10H12O.C10H10O.C10H12.C10H10.C9H10O2.C9H10O.C8H8O2/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-8-6-9-4-2-3-5-10(9)7-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h2-5,9H,6-8H2,1H3;2-5,8H,6-7H2,1H3;2-8H,1H3;2-5,8H,6-7H2,1H3;2-6H,7H2,1H3;2-5,7H,6H2,1H3;2-5,7H,6H2,1H3;2-6H,1H3
• InChIKey: SFUXHNXNMFLDNR-UHFFFAOYSA-N
• XLogP: 18.42
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1123.53
LogP ≤ 5	18.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene (CID 160823214) is 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene is CC1=Cc2ccccc2C1.CC1C=Cc2ccccc2O1.CC1CCc2ccccc2C1.CC1CCc2ccccc2O1.CC1COc2ccccc2O1.CC1Cc2ccccc2C1.CC1Cc2ccccc2O1.CC1Oc2ccccc2O1.

What is the InChIKey of 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene?

The InChIKey is SFUXHNXNMFLDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.C10H12O.C10H10O.C10H12.C10H10.C9H10O2.C9H10O.C8H8O2/c1-9-6-7-10-4-2-3-5-11(10)8-9;2*1-8-6-7-9-4-2-3-5-10(9)11-8;2*1-8-6-9-4-2-3-5-10(9)7-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-7-6-8-4-2-3-5-9(8)10-7;1-6-9-7-4-2-3-5-8(7)10-6/h2-5,9H,6-8H2,1H3;2-5,8H,6-7H2,1H3;2-8H,1H3;2-5,8H,6-7H2,1H3;2-6H,7H2,1H3;2-5,7H,6H2,1H3;2-5,7H,6H2,1H3;2-6H,1H3.

What are the key properties of 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene?

2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 1123.53 g/mol, XLogP of 18.42, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1,3-benzodioxole;2-methyl-2H-chromene;3-methyl-2,3-dihydro-1,4-benzodioxine;2-methyl-2,3-dihydro-1-benzofuran;2-methyl-3,4-dihydro-2H-chromene;2-methyl-2,3-dihydro-1H-indene;2-methyl-1H-indene;2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 160823214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).