2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]

C12H14O — CID 20801257

IUPAC2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESCC1C(C)C12COc1ccccc12
InChIInChI=1S/C12H14O/c1-8-9(2)12(8)7-13-11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKeyZKIDTSQERPBAEF-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.60
Rot. Bonds

About 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]

2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane] (PubChem CID 20801257) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane].

Molecular Properties

Compound Name2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
PubChem CID20801257
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESCC1C(C)C12COc1ccccc12
InChIInChI=1S/C12H14O/c1-8-9(2)12(8)7-13-11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3
InChIKeyZKIDTSQERPBAEF-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The IUPAC name of 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane] (CID 20801257) is 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane].
What is the SMILES notation for 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The canonical SMILES for 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane] is CC1C(C)C12COc1ccccc12.
What is the InChIKey of 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The InChIKey is ZKIDTSQERPBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-9(2)12(8)7-13-11-6-4-3-5-10(11)12/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane] has a molecular weight of 174.24 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane] is sourced from PubChem (CID 20801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).