4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]

C12H14O2 — CID 134225945

IUPAC4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESCOc1cc(C)cc2c1C1(CC1)CO2
InChIInChI=1S/C12H14O2/c1-8-5-9(13-2)11-10(6-8)14-7-12(11)3-4-12/h5-6H,3-4,7H2,1-2H3
InChIKeyLDKLTDPWDXZJAD-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.43
Rot. Bonds1

About 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]

4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] (PubChem CID 134225945) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane].

Molecular Properties

Compound Name4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
PubChem CID134225945
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESCOc1cc(C)cc2c1C1(CC1)CO2
InChIInChI=1S/C12H14O2/c1-8-5-9(13-2)11-10(6-8)14-7-12(11)3-4-12/h5-6H,3-4,7H2,1-2H3
InChIKeyLDKLTDPWDXZJAD-UHFFFAOYSA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The IUPAC name of 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] (CID 134225945) is 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane].
What is the SMILES notation for 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The canonical SMILES for 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] is COc1cc(C)cc2c1C1(CC1)CO2.
What is the InChIKey of 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The InChIKey is LDKLTDPWDXZJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8-5-9(13-2)11-10(6-8)14-7-12(11)3-4-12/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] has a molecular weight of 190.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] is sourced from PubChem (CID 134225945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).