2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol

C17H24O3 — CID 79563593

IUPAC2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
SMILESCC1(C)Cc2cccc(OCCC3CCCC3O)c2O1
InChIInChI=1S/C17H24O3/c1-17(2)11-13-6-4-8-15(16(13)20-17)19-10-9-12-5-3-7-14(12)18/h4,6,8,12,14,18H,3,5,7,9-11H2,1-2H3
InChIKeyZNQCHEZTCWFMTP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol

2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol (PubChem CID 79563593) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
PubChem CID79563593
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol
SMILESCC1(C)Cc2cccc(OCCC3CCCC3O)c2O1
InChIInChI=1S/C17H24O3/c1-17(2)11-13-6-4-8-15(16(13)20-17)19-10-9-12-5-3-7-14(12)18/h4,6,8,12,14,18H,3,5,7,9-11H2,1-2H3
InChIKeyZNQCHEZTCWFMTP-UHFFFAOYSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol with MolForge

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Related Compounds

2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]azetidine
CID 141352701
N-[3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propyl]cyclopropanamine
CID 29015499
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclohexanecarboxamide
CID 39285980
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2-(propan-2-ylamino)butan-1-ol
CID 64804395
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
CID 102820001
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(oxolan-2-ylmethyl)ethanamine
CID 62571024
7-(3-azidopropoxy)-2,2-dimethyl-3H-1-benzofuran
CID 61397191
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propane-1,2-diol
CID 82850589

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol (CID 79563593) is 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol is CC1(C)Cc2cccc(OCCC3CCCC3O)c2O1.
What is the InChIKey of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol?
The InChIKey is ZNQCHEZTCWFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-17(2)11-13-6-4-8-15(16(13)20-17)19-10-9-12-5-3-7-14(12)18/h4,6,8,12,14,18H,3,5,7,9-11H2,1-2H3.
What are the key properties of 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol?
2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79563593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).