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

C16H22O3 — CID 66367076

IUPAC3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)Cc2cccc(OC3CC(O)C3(C)C)c2O1
InChIInChI=1S/C16H22O3/c1-15(2)9-10-6-5-7-11(14(10)19-15)18-13-8-12(17)16(13,3)4/h5-7,12-13,17H,8-9H2,1-4H3
InChIKeyREWVOVFXATUXDZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds2

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

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol (PubChem CID 66367076) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
PubChem CID66367076
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)Cc2cccc(OC3CC(O)C3(C)C)c2O1
InChIInChI=1S/C16H22O3/c1-15(2)9-10-6-5-7-11(14(10)19-15)18-13-8-12(17)16(13,3)4/h5-7,12-13,17H,8-9H2,1-4H3
InChIKeyREWVOVFXATUXDZ-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357294
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
CID 66357094
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
CID 62807246
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methylcyclopentan-1-amine
CID 79642532
7-(3-chloro-2-ethoxycyclobutyl)oxy-2,2-dimethyl-3H-1-benzofuran
CID 104675498
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclooctan-1-amine
CID 43095680
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethylcyclopentan-1-amine
CID 79642651
(2,2-dimethyl-3H-1-benzofuran-7-yl) 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 14130295
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
2,2-dimethyl-7-[[(2S)-oxiran-2-yl]methoxy]-3H-1-benzofuran
CID 30075050
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidine-2,6-dione
CID 146573714

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol (CID 66367076) is 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol is CC1(C)Cc2cccc(OC3CC(O)C3(C)C)c2O1.
What is the InChIKey of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is REWVOVFXATUXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-15(2)9-10-6-5-7-11(14(10)19-15)18-13-8-12(17)16(13,3)4/h5-7,12-13,17H,8-9H2,1-4H3.
What are the key properties of 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol?
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 262.35 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 66367076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).