6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol

C14H18O3S — CID 10515910

IUPAC6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol
SMILESCS(=O)c1cc2c(cc1O)COC21CCCCC1
InChIInChI=1S/C14H18O3S/c1-18(16)13-8-11-10(7-12(13)15)9-17-14(11)5-3-2-4-6-14/h7-8,15H,2-6,9H2,1H3
InChIKeyZNXKMEGWAFBWAM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.82
Rot. Bonds1

About 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol

6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol (PubChem CID 10515910) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol.

Molecular Properties

Compound Name6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol
PubChem CID10515910
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol
SMILESCS(=O)c1cc2c(cc1O)COC21CCCCC1
InChIInChI=1S/C14H18O3S/c1-18(16)13-8-11-10(7-12(13)15)9-17-14(11)5-3-2-4-6-14/h7-8,15H,2-6,9H2,1H3
InChIKeyZNXKMEGWAFBWAM-UHFFFAOYSA-N
XLogP2.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol?
The IUPAC name of 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol (CID 10515910) is 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol.
What is the SMILES notation for 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol?
The canonical SMILES for 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol is CS(=O)c1cc2c(cc1O)COC21CCCCC1.
What is the InChIKey of 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol?
The InChIKey is ZNXKMEGWAFBWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3S/c1-18(16)13-8-11-10(7-12(13)15)9-17-14(11)5-3-2-4-6-14/h7-8,15H,2-6,9H2,1H3.
What are the key properties of 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol?
6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol has a molecular weight of 266.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfinylspiro[3H-2-benzofuran-1,1'-cyclohexane]-5-ol is sourced from PubChem (CID 10515910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).