[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

C18H24O2 — CID 66392757

About [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol

[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66392757) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

• Compound Name: [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
• PubChem CID: 66392757
• Molecular Formula: C18H24O2
• Molecular Weight: 272.39 g/mol
• Exact Mass: 272.18
• IUPAC Name: [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
• SMILES: Cc1ccc2c(c1)CC(CC1(CO)CC3CCC1C3)O2
• InChI: InChI=1S/C18H24O2/c1-12-2-5-17-14(6-12)8-16(20-17)10-18(11-19)9-13-3-4-15(18)7-13/h2,5-6,13,15-16,19H,3-4,7-11H2,1H3
• InChIKey: QRIIERQIGWPEDY-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.39
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?

The IUPAC name of [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol (CID 66392757) is [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol.

What is the SMILES notation for [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?

The canonical SMILES for [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is Cc1ccc2c(c1)CC(CC1(CO)CC3CCC1C3)O2.

What is the InChIKey of [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?

The InChIKey is QRIIERQIGWPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-12-2-5-17-14(6-12)8-16(20-17)10-18(11-19)9-13-3-4-15(18)7-13/h2,5-6,13,15-16,19H,3-4,7-11H2,1H3.

What are the key properties of [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol?

[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 272.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66392757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).