(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol

C17H22O2 — CID 114726702

IUPAC(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCCC1CCC(C(O)c2cc3cc(C)ccc3o2)C1
InChIInChI=1S/C17H22O2/c1-3-12-5-6-13(9-12)17(18)16-10-14-8-11(2)4-7-15(14)19-16/h4,7-8,10,12-13,17-18H,3,5-6,9H2,1-2H3
InChIKeyIHWJPYFWJISSSN-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.60
Rot. Bonds3

About (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol

(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114726702) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114726702
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCCC1CCC(C(O)c2cc3cc(C)ccc3o2)C1
InChIInChI=1S/C17H22O2/c1-3-12-5-6-13(9-12)17(18)16-10-14-8-11(2)4-7-15(14)19-16/h4,7-8,10,12-13,17-18H,3,5-6,9H2,1-2H3
InChIKeyIHWJPYFWJISSSN-UHFFFAOYSA-N
XLogP4.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
[(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105231380
2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727265
(5-chloro-1-benzofuran-2-yl)-(4-ethylcyclohexyl)methanamine
CID 114729198
(5-methyl-1-benzofuran-2-yl)-(3-methylcyclopentyl)methanamine
CID 114729273
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836405
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
(2,4-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65412175
(2,5-dimethylphenyl)-(3-ethylcyclopentyl)methanamine
CID 65410620
(3-ethylcyclopentyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128518

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114726702) is (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol is CCC1CCC(C(O)c2cc3cc(C)ccc3o2)C1.
What is the InChIKey of (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is IHWJPYFWJISSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-12-5-6-13(9-12)17(18)16-10-14-8-11(2)4-7-15(14)19-16/h4,7-8,10,12-13,17-18H,3,5-6,9H2,1-2H3.
What are the key properties of (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol?
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 258.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114726702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).