6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol

C14H18O5S — CID 114715358

IUPAC6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCS(=O)(=O)CC1)O2
InChIInChI=1S/C14H18O5S/c1-18-10-2-3-13-11(8-10)12(15)9-14(19-13)4-6-20(16,17)7-5-14/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyFCMNYUJRZHTJIH-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.46
Rot. Bonds1

About 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol

6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol (PubChem CID 114715358) has the molecular formula C14H18O5S and a molecular weight of 298.36 g/mol. Its IUPAC name is 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol.

Molecular Properties

Compound Name6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
PubChem CID114715358
Molecular FormulaC14H18O5S
Molecular Weight298.36 g/mol
Exact Mass298.09
IUPAC Name6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
SMILESCOc1ccc2c(c1)C(O)CC1(CCS(=O)(=O)CC1)O2
InChIInChI=1S/C14H18O5S/c1-18-10-2-3-13-11(8-10)12(15)9-14(19-13)4-6-20(16,17)7-5-14/h2-3,8,12,15H,4-7,9H2,1H3
InChIKeyFCMNYUJRZHTJIH-UHFFFAOYSA-N
XLogP1.46
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol with MolForge

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Related Compounds

(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 59620250
(4S)-6-methoxy-4'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950824
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104950800
(4S)-4'-ethyl-6-methoxyspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-ol
CID 104950848
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778
(4S)-1'-[(2S)-2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 92552683

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The IUPAC name of 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol (CID 114715358) is 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol.
What is the SMILES notation for 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The canonical SMILES for 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol is COc1ccc2c(c1)C(O)CC1(CCS(=O)(=O)CC1)O2.
What is the InChIKey of 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
The InChIKey is FCMNYUJRZHTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5S/c1-18-10-2-3-13-11(8-10)12(15)9-14(19-13)4-6-20(16,17)7-5-14/h2-3,8,12,15H,4-7,9H2,1H3.
What are the key properties of 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol?
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol has a molecular weight of 298.36 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol is sourced from PubChem (CID 114715358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).