4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol

C18H19ClFNO2S — CID 164726055

IUPAC4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol
SMILESC[C@H]1C[C@@]2(C[C@@H](c3ccc(O)c(F)c3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C18H19ClFNO2S/c1-10-8-18(17-12(4-5-23-18)7-16(19)24-17)9-14(21-10)11-2-3-15(22)13(20)6-11/h2-3,6-7,10,14,21-22H,4-5,8-9H2,1H3/t10-,14-,18-/m0/s1
InChIKeyLUVOTYQUCQUYEX-KCJDHBRGSA-N
MW367.87 g/mol
LogP4.53
Rot. Bonds1

About 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol

4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol (PubChem CID 164726055) has the molecular formula C18H19ClFNO2S and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol
PubChem CID164726055
Molecular FormulaC18H19ClFNO2S
Molecular Weight367.87 g/mol
Exact Mass367.08
IUPAC Name4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol
SMILESC[C@H]1C[C@@]2(C[C@@H](c3ccc(O)c(F)c3)N1)OCCc1cc(Cl)sc12
InChIInChI=1S/C18H19ClFNO2S/c1-10-8-18(17-12(4-5-23-18)7-16(19)24-17)9-14(21-10)11-2-3-15(22)13(20)6-11/h2-3,6-7,10,14,21-22H,4-5,8-9H2,1H3/t10-,14-,18-/m0/s1
InChIKeyLUVOTYQUCQUYEX-KCJDHBRGSA-N
XLogP4.53
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol with MolForge

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Related Compounds

2-Chloro-2'-(2-fluoro-4-methoxyphenyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164725757
4-(2-Chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-2-fluorophenol
CID 164725929
(2'S,6'S,7S)-2-chloro-2'-(2-fluoro-4-methoxyphenyl)-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 164726051
(2'S,7R)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138597
(2'S,7R)-2-chloro-1'-[(4-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169138817
2-[[(2'S,7R)-2-chloro-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-6-fluorophenol
CID 169138854
(2'S,4R,7R)-2-chloro-1'-[(3,5-difluoro-2-hydroxyphenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169139205
(2'S,7R)-2-chloro-1'-[(3-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139208
(2'S)-2-chloro-1'-[(2-fluorophenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]
CID 169139320
2-[[(2'S,7R)-2-chloro-3-(hydroxymethyl)-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl]methyl]-4,6-difluorophenol
CID 169139457
(2'R,4R,7R)-2-chloro-1'-[(3,5-difluoro-2-hydroxyphenyl)methyl]-2'-ethenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169140354
(2'S,4R,7R)-2-chloro-1'-[(3-fluoro-2-hydroxyphenyl)methyl]-2'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-4-ol
CID 169140365

Frequently Asked Questions

What is the IUPAC name of 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol?
The IUPAC name of 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol (CID 164726055) is 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol.
What is the SMILES notation for 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol?
The canonical SMILES for 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol is C[C@H]1C[C@@]2(C[C@@H](c3ccc(O)c(F)c3)N1)OCCc1cc(Cl)sc12.
What is the InChIKey of 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol?
The InChIKey is LUVOTYQUCQUYEX-KCJDHBRGSA-N. The full InChI is InChI=1S/C18H19ClFNO2S/c1-10-8-18(17-12(4-5-23-18)7-16(19)24-17)9-14(21-10)11-2-3-15(22)13(20)6-11/h2-3,6-7,10,14,21-22H,4-5,8-9H2,1H3/t10-,14-,18-/m0/s1.
What are the key properties of 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol?
4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol has a molecular weight of 367.87 g/mol, XLogP of 4.53, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2'S,6'S,7S)-2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl]-2-fluorophenol is sourced from PubChem (CID 164726055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).