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

C17H20O2 — CID 114727265

IUPAC2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3CC4CCC3C4)cc2c1
InChIInChI=1S/C17H20O2/c1-10-2-5-15-13(6-10)9-16(19-15)17(18)14-8-11-3-4-12(14)7-11/h2,5-6,9,11-12,14,17-18H,3-4,7-8H2,1H3
InChIKeyPWRORLWQESGYTB-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.21
Rot. Bonds2

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

2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114727265) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114727265
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3CC4CCC3C4)cc2c1
InChIInChI=1S/C17H20O2/c1-10-2-5-15-13(6-10)9-16(19-15)17(18)14-8-11-3-4-12(14)7-11/h2,5-6,9,11-12,14,17-18H,3-4,7-8H2,1H3
InChIKeyPWRORLWQESGYTB-UHFFFAOYSA-N
XLogP4.21
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836405
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105266606
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726820
(5-methyl-1-benzofuran-2-yl)-[5-(2-methylcyclopropyl)furan-2-yl]methanol
CID 114723550
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
CID 114729273
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol (CID 114727265) is 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)C3CC4CCC3C4)cc2c1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is PWRORLWQESGYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-10-2-5-15-13(6-10)9-16(19-15)17(18)14-8-11-3-4-12(14)7-11/h2,5-6,9,11-12,14,17-18H,3-4,7-8H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol?
2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 256.34 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114727265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).