(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

C14H18O3S — CID 104950800

IUPAC(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CSC(C)C1)O2
InChIInChI=1S/C14H18O3S/c1-9-6-14(8-18-9)7-12(15)11-5-10(16-2)3-4-13(11)17-14/h3-5,9,12,15H,6-8H2,1-2H3/t9?,12-,14?/m0/s1
InChIKeyAZBADADIAZDXNS-PEUVISTOSA-N
MW266.36 g/mol
LogP2.78
Rot. Bonds1

About (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol

(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (PubChem CID 104950800) has the molecular formula C14H18O3S and a molecular weight of 266.36 g/mol. Its IUPAC name is (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.

Molecular Properties

Compound Name(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
PubChem CID104950800
Molecular FormulaC14H18O3S
Molecular Weight266.36 g/mol
Exact Mass266.10
IUPAC Name(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
SMILESCOc1ccc2c(c1)[C@@H](O)CC1(CSC(C)C1)O2
InChIInChI=1S/C14H18O3S/c1-9-6-14(8-18-9)7-12(15)11-5-10(16-2)3-4-13(11)17-14/h3-5,9,12,15H,6-8H2,1-2H3/t9?,12-,14?/m0/s1
InChIKeyAZBADADIAZDXNS-PEUVISTOSA-N
XLogP2.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol with MolForge

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Related Compounds

(4S)-6-fluoro-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104948122
(4S)-6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950862
(4S)-3',6-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ol
CID 106825058
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
(4R)-6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 104950989
6-methoxy-1',1'-dioxospiro[3,4-dihydrochromene-2,4'-thiane]-4-ol
CID 114715358
(4S)-7-bromo-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol
CID 104949633
6-methoxy-1'-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-ol
CID 114715390
6-methoxy-2-methyl-2-propan-2-yl-3,4-dihydrochromen-4-ol
CID 114715446
(4S)-6-methoxy-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104950732
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-ol
CID 104950778

Frequently Asked Questions

What is the IUPAC name of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The IUPAC name of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol (CID 104950800) is (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol.
What is the SMILES notation for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The canonical SMILES for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is COc1ccc2c(c1)[C@@H](O)CC1(CSC(C)C1)O2.
What is the InChIKey of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
The InChIKey is AZBADADIAZDXNS-PEUVISTOSA-N. The full InChI is InChI=1S/C14H18O3S/c1-9-6-14(8-18-9)7-12(15)11-5-10(16-2)3-4-13(11)17-14/h3-5,9,12,15H,6-8H2,1-2H3/t9?,12-,14?/m0/s1.
What are the key properties of (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol?
(4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol has a molecular weight of 266.36 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-methoxy-2'-methylspiro[3,4-dihydrochromene-2,4'-thiolane]-4-ol is sourced from PubChem (CID 104950800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).