[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol

C14H12O2S3 — CID 10063895

IUPAC[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol
SMILESOCc1csc(-c2ccc(-c3ccc(CO)s3)s2)c1
InChIInChI=1S/C14H12O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,8,15-16H,6-7H2
InChIKeyZBGPRTXPLWCWSB-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.19
Rot. Bonds4

About [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol

[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol (PubChem CID 10063895) has the molecular formula C14H12O2S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol
PubChem CID10063895
Molecular FormulaC14H12O2S3
Molecular Weight308.45 g/mol
Exact Mass308.00
IUPAC Name[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol
SMILESOCc1csc(-c2ccc(-c3ccc(CO)s3)s2)c1
InChIInChI=1S/C14H12O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,8,15-16H,6-7H2
InChIKeyZBGPRTXPLWCWSB-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol?
The IUPAC name of [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol (CID 10063895) is [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol is OCc1csc(-c2ccc(-c3ccc(CO)s3)s2)c1.
What is the InChIKey of [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol?
The InChIKey is ZBGPRTXPLWCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,8,15-16H,6-7H2.
What are the key properties of [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol?
[5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol has a molecular weight of 308.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[4-(hydroxymethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 10063895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).