(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

C16H18O3 — CID 114726549

IUPAC(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCc1cccc2cc(C(O)C3CC4CCC3O4)oc12
InChIInChI=1S/C16H18O3/c1-9-3-2-4-10-7-14(19-16(9)10)15(17)12-8-11-5-6-13(12)18-11/h2-4,7,11-13,15,17H,5-6,8H2,1H3
InChIKeyKYVGRVIPUDANOW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.34
Rot. Bonds2

About (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol

(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (PubChem CID 114726549) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
PubChem CID114726549
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol
SMILESCc1cccc2cc(C(O)C3CC4CCC3O4)oc12
InChIInChI=1S/C16H18O3/c1-9-3-2-4-10-7-14(19-16(9)10)15(17)12-8-11-5-6-13(12)18-11/h2-4,7,11-13,15,17H,5-6,8H2,1H3
InChIKeyKYVGRVIPUDANOW-UHFFFAOYSA-N
XLogP3.34
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114726715
cyclohex-3-en-1-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723714
(7-methyl-1-benzofuran-2-yl)-piperidin-3-ylmethanol
CID 114724344
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
(3-cyclopropylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114724253
1-(1-benzofuran-2-yl)-N-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)methanamine
CID 114728720
1-benzofuran-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723563
(3,5-dimethylphenyl)-(7-methyl-1-benzofuran-2-yl)methanol
CID 114723638
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
3,3,3-trifluoro-1-(7-methyl-1-benzofuran-2-yl)-2-(trifluoromethyl)propan-1-ol
CID 103312648
(7-methyl-1-benzofuran-2-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 115836437
2-cyclopropyl-N-ethyl-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 105045508

Frequently Asked Questions

What is the IUPAC name of (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The IUPAC name of (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol (CID 114726549) is (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol.
What is the SMILES notation for (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The canonical SMILES for (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is Cc1cccc2cc(C(O)C3CC4CCC3O4)oc12.
What is the InChIKey of (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
The InChIKey is KYVGRVIPUDANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-9-3-2-4-10-7-14(19-16(9)10)15(17)12-8-11-5-6-13(12)18-11/h2-4,7,11-13,15,17H,5-6,8H2,1H3.
What are the key properties of (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol?
(7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol has a molecular weight of 258.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1-benzofuran-2-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanol is sourced from PubChem (CID 114726549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).