cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

C16H22O3 — CID 115350010

IUPACcyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCOc1cc2c(cc1C(O)C1CCCC1)OC(C)C2
InChIInChI=1S/C16H22O3/c1-10-7-12-8-15(18-2)13(9-14(12)19-10)16(17)11-5-3-4-6-11/h8-11,16-17H,3-7H2,1-2H3
InChIKeyNKOBBSORWRKXJO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.24
Rot. Bonds3

About cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol

cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (PubChem CID 115350010) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.

Molecular Properties

Compound Namecyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
PubChem CID115350010
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Namecyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
SMILESCOc1cc2c(cc1C(O)C1CCCC1)OC(C)C2
InChIInChI=1S/C16H22O3/c1-10-7-12-8-15(18-2)13(9-14(12)19-10)16(17)11-5-3-4-6-11/h8-11,16-17H,3-7H2,1-2H3
InChIKeyNKOBBSORWRKXJO-UHFFFAOYSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol
CID 63893850
(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-(oxolan-3-yl)methanol
CID 115349975
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-methylpentan-1-ol
CID 115349956
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hexan-1-ol
CID 115349970
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
CID 113291917
2-cyclopentyl-1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanol
CID 65150918
2-chloro-N-cyclopropyl-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetamide
CID 115349620
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)hex-4-yn-1-ol
CID 104809675
cycloheptyl-(2,4,5-trimethoxyphenyl)methanol
CID 82932669
1-[hydroxy-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentane-1-carbonitrile
CID 115350166
methyl 3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(methylamino)propanoate
CID 115350139
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-pyridin-3-ylethanol
CID 104735809

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The IUPAC name of cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol (CID 115350010) is cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol.
What is the SMILES notation for cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The canonical SMILES for cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is COc1cc2c(cc1C(O)C1CCCC1)OC(C)C2.
What is the InChIKey of cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
The InChIKey is NKOBBSORWRKXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-10-7-12-8-15(18-2)13(9-14(12)19-10)16(17)11-5-3-4-6-11/h8-11,16-17H,3-7H2,1-2H3.
What are the key properties of cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol?
cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol has a molecular weight of 262.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methanol is sourced from PubChem (CID 115350010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).