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

C16H14O2S2 — CID 137421772

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

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

[5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol (PubChem CID 137421772) has the molecular formula C16H14O2S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol.

Molecular Properties

Compound Name[5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol
PubChem CID137421772
Molecular FormulaC16H14O2S2
Molecular Weight302.42 g/mol
Exact Mass302.04
IUPAC Name[5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol
SMILESOCc1cc(CO)c(-c2cccs2)cc1-c1cccs1
InChIInChI=1S/C16H14O2S2/c17-9-11-7-12(10-18)14(16-4-2-6-20-16)8-13(11)15-3-1-5-19-15/h1-8,17-18H,9-10H2
InChIKeyZZOGILKCAUXCMM-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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Frequently Asked Questions

What is the IUPAC name of [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol?
The IUPAC name of [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol (CID 137421772) is [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol.
What is the SMILES notation for [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol?
The canonical SMILES for [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol is OCc1cc(CO)c(-c2cccs2)cc1-c1cccs1.
What is the InChIKey of [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol?
The InChIKey is ZZOGILKCAUXCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2S2/c17-9-11-7-12(10-18)14(16-4-2-6-20-16)8-13(11)15-3-1-5-19-15/h1-8,17-18H,9-10H2.
What are the key properties of [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol?
[5-(hydroxymethyl)-2,4-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 [5-(hydroxymethyl)-2,4-dithiophen-2-ylphenyl]methanol is sourced from PubChem (CID 137421772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).