(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol

C17H16O3S3 — CID 59919945

IUPAC(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
SMILESOC[C@H]1OC(c2ccc(-c3ccc(-c4cccs4)s3)s2)CC1O
InChIInChI=1S/C17H16O3S3/c18-9-12-10(19)8-11(20-12)13-3-4-16(22-13)17-6-5-15(23-17)14-2-1-7-21-14/h1-7,10-12,18-19H,8-9H2/t10?,11?,12-/m1/s1
InChIKeyOQHSWDWBMINFQO-HTAVTVPLSA-N
MW364.51 g/mol
LogP4.39
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol

(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol (PubChem CID 59919945) has the molecular formula C17H16O3S3 and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
PubChem CID59919945
Molecular FormulaC17H16O3S3
Molecular Weight364.51 g/mol
Exact Mass364.03
IUPAC Name(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
SMILESOC[C@H]1OC(c2ccc(-c3ccc(-c4cccs4)s3)s2)CC1O
InChIInChI=1S/C17H16O3S3/c18-9-12-10(19)8-11(20-12)13-3-4-16(22-13)17-6-5-15(23-17)14-2-1-7-21-14/h1-7,10-12,18-19H,8-9H2/t10?,11?,12-/m1/s1
InChIKeyOQHSWDWBMINFQO-HTAVTVPLSA-N
XLogP4.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S,5S)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol
CID 15868126
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)pyrimidine-2,4-dione;methane
CID 121487295
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
carbanide;cobalt(2+);cyclopentane;2-thiophen-2-yl-5-[2,3,4-tris(5-thiophen-2-ylthiophen-2-yl)cyclobutyl]thiophene;hydroiodide
CID 162275359
(2R,3R,5R)-2-(hydroxymethyl)-5-(4-phenyldiazenylphenyl)oxolan-3-ol
CID 59119138
(2R,3S,5R)-2-(hydroxymethyl)-5-(3-oxido-1,3-thiazol-3-ium-2-yl)oxolan-3-ol
CID 13009538
2-(2,3-dihydrothiophen-2-yl)-5-thiophen-2-ylthiophene
CID 123291571
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
2-(hydroxymethyl)-5-[4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]phenyl]oxolan-3-ol
CID 22897703
(2R,3S,5R)-5-(4-amino-5-thiophen-2-ylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 66553827
2-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-5-carboxylic acid
CID 11651686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol?
The IUPAC name of (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol (CID 59919945) is (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol?
The canonical SMILES for (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol is OC[C@H]1OC(c2ccc(-c3ccc(-c4cccs4)s3)s2)CC1O.
What is the InChIKey of (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol?
The InChIKey is OQHSWDWBMINFQO-HTAVTVPLSA-N. The full InChI is InChI=1S/C17H16O3S3/c18-9-12-10(19)8-11(20-12)13-3-4-16(22-13)17-6-5-15(23-17)14-2-1-7-21-14/h1-7,10-12,18-19H,8-9H2/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol?
(2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol has a molecular weight of 364.51 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]oxolan-3-ol is sourced from PubChem (CID 59919945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).