(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol

C16H16OS2 — CID 42612197

IUPAC(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol
SMILESCC1(C)C=C(C(O)c2ccsc2)c2ccccc2S1
InChIInChI=1S/C16H16OS2/c1-16(2)9-13(15(17)11-7-8-18-10-11)12-5-3-4-6-14(12)19-16/h3-10,15,17H,1-2H3
InChIKeyXMWTXKCAOOOCNA-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.75
Rot. Bonds2

About (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol

(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol (PubChem CID 42612197) has the molecular formula C16H16OS2 and a molecular weight of 288.44 g/mol. Its IUPAC name is (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol
PubChem CID42612197
Molecular FormulaC16H16OS2
Molecular Weight288.44 g/mol
Exact Mass288.06
IUPAC Name(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol
SMILESCC1(C)C=C(C(O)c2ccsc2)c2ccccc2S1
InChIInChI=1S/C16H16OS2/c1-16(2)9-13(15(17)11-7-8-18-10-11)12-5-3-4-6-14(12)19-16/h3-10,15,17H,1-2H3
InChIKeyXMWTXKCAOOOCNA-UHFFFAOYSA-N
XLogP4.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(2-propan-2-ylphenyl)-thiophen-3-ylmethanol
CID 97293180
2-[hydroxy(thiophen-3-yl)methyl]phenol
CID 155686195
(R)-(2-methoxyphenyl)-thiophen-3-ylmethanol
CID 93312294
1-thiophen-3-ylbut-2-yn-1-ol
CID 130174336
(2,2,3,3-tetramethylcyclopropyl)-thiophen-3-ylmethanol
CID 115805572
(1S)-1-thiophen-3-ylethanol
CID 11297979
1-thiophen-3-ylethanol
CID 12744375
(R)-furan-2-yl(thiophen-3-yl)methanol
CID 95256698
(2,6-dimethyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 105102734
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(2-methylthiophen-3-yl)-thiophen-3-ylmethanol
CID 102829147
2-(3-diphenylphosphoryl-3-thiophen-3-ylprop-1-en-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 168865589

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol?
The IUPAC name of (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol (CID 42612197) is (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol.
What is the SMILES notation for (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol?
The canonical SMILES for (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol is CC1(C)C=C(C(O)c2ccsc2)c2ccccc2S1.
What is the InChIKey of (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol?
The InChIKey is XMWTXKCAOOOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16OS2/c1-16(2)9-13(15(17)11-7-8-18-10-11)12-5-3-4-6-14(12)19-16/h3-10,15,17H,1-2H3.
What are the key properties of (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol?
(2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol has a molecular weight of 288.44 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylthiochromen-4-yl)-thiophen-3-ylmethanol is sourced from PubChem (CID 42612197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).