2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]

C11H14O2S — CID 59888812

IUPAC2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]
SMILESCc1cc2c(s1)CCC1(C2)OCCO1
InChIInChI=1S/C11H14O2S/c1-8-6-9-7-11(12-4-5-13-11)3-2-10(9)14-8/h6H,2-5,7H2,1H3
InChIKeyQUXXSEXJKPRMBT-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.29
Rot. Bonds

About 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]

2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] (PubChem CID 59888812) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene].

Molecular Properties

Compound Name2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]
PubChem CID59888812
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]
SMILESCc1cc2c(s1)CCC1(C2)OCCO1
InChIInChI=1S/C11H14O2S/c1-8-6-9-7-11(12-4-5-13-11)3-2-10(9)14-8/h6H,2-5,7H2,1H3
InChIKeyQUXXSEXJKPRMBT-UHFFFAOYSA-N
XLogP2.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]?
The IUPAC name of 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] (CID 59888812) is 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene].
What is the SMILES notation for 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]?
The canonical SMILES for 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] is Cc1cc2c(s1)CCC1(C2)OCCO1.
What is the InChIKey of 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]?
The InChIKey is QUXXSEXJKPRMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-6-9-7-11(12-4-5-13-11)3-2-10(9)14-8/h6H,2-5,7H2,1H3.
What are the key properties of 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene]?
2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] has a molecular weight of 210.30 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,3-dioxolane-2,5'-6,7-dihydro-4H-1-benzothiophene] is sourced from PubChem (CID 59888812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).