1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol

C19H24O2 — CID 63019202

IUPAC1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24O2/c20-18(15-1-2-16-10-21-11-17(16)6-15)19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,18,20H,3-5,7-11H2
InChIKeyWYBAPHHPJNYQTA-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.97
Rot. Bonds2

About 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol

1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol (PubChem CID 63019202) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
PubChem CID63019202
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)COC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24O2/c20-18(15-1-2-16-10-21-11-17(16)6-15)19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,18,20H,3-5,7-11H2
InChIKeyWYBAPHHPJNYQTA-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The IUPAC name of 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol (CID 63019202) is 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol.
What is the SMILES notation for 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The canonical SMILES for 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)COC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
The InChIKey is WYBAPHHPJNYQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c20-18(15-1-2-16-10-21-11-17(16)6-15)19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,18,20H,3-5,7-11H2.
What are the key properties of 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol?
1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol has a molecular weight of 284.40 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol is sourced from PubChem (CID 63019202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).