2-(3,4-dimethyloxolan-2-yl)-1-benzofuran

C14H16O2 — CID 118967498

IUPAC2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
SMILESCC1COC(c2cc3ccccc3o2)C1C
InChIInChI=1S/C14H16O2/c1-9-8-15-14(10(9)2)13-7-11-5-3-4-6-12(11)16-13/h3-7,9-10,14H,8H2,1-2H3
InChIKeyZBZZLARBHMHNIS-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.78
Rot. Bonds1

About 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran

2-(3,4-dimethyloxolan-2-yl)-1-benzofuran (PubChem CID 118967498) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran.

Molecular Properties

Compound Name2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
PubChem CID118967498
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name2-(3,4-dimethyloxolan-2-yl)-1-benzofuran
SMILESCC1COC(c2cc3ccccc3o2)C1C
InChIInChI=1S/C14H16O2/c1-9-8-15-14(10(9)2)13-7-11-5-3-4-6-12(11)16-13/h3-7,9-10,14H,8H2,1-2H3
InChIKeyZBZZLARBHMHNIS-UHFFFAOYSA-N
XLogP3.78
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-(1-benzofuran-2-yl)-4-methyloxolan-2-one
CID 15053872
2-cyclopropyl-1-benzofuran
CID 12528043
2-(dioxetan-3-yl)-1-benzofuran
CID 139777260
3-(1-benzofuran-2-yl)-2-methylcyclopentan-1-amine
CID 114733615
(4S)-4-(1-benzofuran-2-yl)oxathiazolidine 2,2-dioxide
CID 142711103
1-[2-(1-benzofuran-2-yl)oxolan-3-yl]-N-methylmethanamine
CID 79367665
3-(1-benzofuran-2-yl)-2-methylpyrrolidine
CID 63897339
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
4-(1-benzofuran-2-yl)-1-ethylpiperidine
CID 23312291
4-(1-benzofuran-2-yl)-1-propan-2-ylpiperidine;hydrochloride
CID 23312202
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 79368554
2-(1,3-benzodithiol-2-yl)-1-benzofuran
CID 102436432

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran?
The IUPAC name of 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran (CID 118967498) is 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran.
What is the SMILES notation for 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran?
The canonical SMILES for 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran is CC1COC(c2cc3ccccc3o2)C1C.
What is the InChIKey of 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran?
The InChIKey is ZBZZLARBHMHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-9-8-15-14(10(9)2)13-7-11-5-3-4-6-12(11)16-13/h3-7,9-10,14H,8H2,1-2H3.
What are the key properties of 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran?
2-(3,4-dimethyloxolan-2-yl)-1-benzofuran has a molecular weight of 216.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyloxolan-2-yl)-1-benzofuran is sourced from PubChem (CID 118967498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).