cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

C16H22O2 — CID 55061675

IUPACcyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)C3CCCC3)ccc2O1
InChIInChI=1S/C16H22O2/c1-16(2)10-13-9-12(7-8-14(13)18-16)15(17)11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3
InChIKeySTZRVBXTODHIGT-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.62
Rot. Bonds2

About cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol

cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (PubChem CID 55061675) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
PubChem CID55061675
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namecyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol
SMILESCC1(C)Cc2cc(C(O)C3CCCC3)ccc2O1
InChIInChI=1S/C16H22O2/c1-16(2)10-13-9-12(7-8-14(13)18-16)15(17)11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3
InChIKeySTZRVBXTODHIGT-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The IUPAC name of cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol (CID 55061675) is cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol.
What is the SMILES notation for cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The canonical SMILES for cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is CC1(C)Cc2cc(C(O)C3CCCC3)ccc2O1.
What is the InChIKey of cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
The InChIKey is STZRVBXTODHIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2)10-13-9-12(7-8-14(13)18-16)15(17)11-5-3-4-6-11/h7-9,11,15,17H,3-6,10H2,1-2H3.
What are the key properties of cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol?
cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 55061675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).