(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol

C17H22O2 — CID 107192952

IUPAC(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3CCCC3(C)C)cc2c1
InChIInChI=1S/C17H22O2/c1-11-6-7-14-12(9-11)10-15(19-14)16(18)13-5-4-8-17(13,2)3/h6-7,9-10,13,16,18H,4-5,8H2,1-3H3
InChIKeyIDTUGTAJDZQTCC-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.60
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol

(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 107192952) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID107192952
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3CCCC3(C)C)cc2c1
InChIInChI=1S/C17H22O2/c1-11-6-7-14-12(9-11)10-15(19-14)16(18)13-5-4-8-17(13,2)3/h6-7,9-10,13,16,18H,4-5,8H2,1-3H3
InChIKeyIDTUGTAJDZQTCC-UHFFFAOYSA-N
XLogP4.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethylcyclopentyl)-(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
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727265
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
(2,5-dichlorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107181647
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
1-(5-methyl-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723920
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 107192952) is (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)C3CCCC3(C)C)cc2c1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is IDTUGTAJDZQTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-11-6-7-14-12(9-11)10-15(19-14)16(18)13-5-4-8-17(13,2)3/h6-7,9-10,13,16,18H,4-5,8H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 258.36 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 107192952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).