[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol

C14H12O2S3 — CID 11197598

IUPAC[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C14H12O2S3/c15-13(9-3-1-7-17-9)11-5-6-12(19-11)14(16)10-4-2-8-18-10/h1-8,13-16H
InChIKeyUOAJMHPLSHDKGF-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.03
Rot. Bonds4

About [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol

[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol (PubChem CID 11197598) has the molecular formula C14H12O2S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
PubChem CID11197598
Molecular FormulaC14H12O2S3
Molecular Weight308.45 g/mol
Exact Mass308.00
IUPAC Name[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1ccc(C(O)c2cccs2)s1
InChIInChI=1S/C14H12O2S3/c15-13(9-3-1-7-17-9)11-5-6-12(19-11)14(16)10-4-2-8-18-10/h1-8,13-16H
InChIKeyUOAJMHPLSHDKGF-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 43234424
(R)-(5-chlorothiophen-2-yl)-thiophen-2-ylmethanol
CID 93029791
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(4-phenylthiophen-2-yl)-thiophen-2-ylmethanol
CID 16641209
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
hydroxy-[hydroxy(thiophen-2-yl)methyl]-oxophosphanium
CID 138963278
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]-2-naphthalen-1-ylacetamide
CID 90583516
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
(5-bromothiophen-3-yl)-thiophen-2-ylmethanol
CID 105079878
5-chloro-N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]thiophene-2-carboxamide
CID 71804635
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
thiophen-2-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153315

Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol?
The IUPAC name of [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol (CID 11197598) is [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol.
What is the SMILES notation for [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol?
The canonical SMILES for [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol is OC(c1cccs1)c1ccc(C(O)c2cccs2)s1.
What is the InChIKey of [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol?
The InChIKey is UOAJMHPLSHDKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S3/c15-13(9-3-1-7-17-9)11-5-6-12(19-11)14(16)10-4-2-8-18-10/h1-8,13-16H.
What are the key properties of [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol?
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol has a molecular weight of 308.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol is sourced from PubChem (CID 11197598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).