[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol

C16H14O2S2 — CID 137421749

IUPAC[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
SMILESOCc1cc(-c2cccs2)c(CO)cc1-c1cccs1
InChIInChI=1S/C16H14O2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8,17-18H,9-10H2
InChIKeyTXHXKGHPVOLQGK-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.13
Rot. Bonds4

About [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol

[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol (PubChem CID 137421749) has the molecular formula C16H14O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
PubChem CID137421749
Molecular FormulaC16H14O2S2
Molecular Weight302.42 g/mol
Exact Mass302.04
IUPAC Name[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
SMILESOCc1cc(-c2cccs2)c(CO)cc1-c1cccs1
InChIInChI=1S/C16H14O2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8,17-18H,9-10H2
InChIKeyTXHXKGHPVOLQGK-UHFFFAOYSA-N
XLogP4.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
(3-thiophen-2-ylphenyl)methanol
CID 7537586
4-(hydroxymethyl)-2-propyl-6-thiophen-2-ylpyridazin-3-one
CID 82446954
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
2-[2-[(2-thiophen-2-ylphenyl)methylsulfanylmethyl]phenyl]thiophene
CID 141437650
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
2-[4-amino-N-(2-hydroxyethyl)-2-methyl-6-thiophen-2-ylanilino]ethanol
CID 18798982
(3-fluoro-5-thiophen-2-ylphenyl)methanol
CID 138319777
(2S)-2-amino-2-(2-thiophen-2-ylphenyl)ethanol
CID 66514296
4-chloro-3-thiophen-2-ylaniline
CID 61317798
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol?
The IUPAC name of [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol (CID 137421749) is [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol.
What is the SMILES notation for [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol?
The canonical SMILES for [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol is OCc1cc(-c2cccs2)c(CO)cc1-c1cccs1.
What is the InChIKey of [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol?
The InChIKey is TXHXKGHPVOLQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S2/c17-9-11-8-14(16-4-2-6-20-16)12(10-18)7-13(11)15-3-1-5-19-15/h1-8,17-18H,9-10H2.
What are the key properties of [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol?
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol has a molecular weight of 302.42 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol is sourced from PubChem (CID 137421749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).