[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol

C14H12O2S — CID 135080491

IUPAC[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
SMILESOCc1cc2sc3ccccc3c2cc1CO
InChIInChI=1S/C14H12O2S/c15-7-9-5-12-11-3-1-2-4-13(11)17-14(12)6-10(9)8-16/h1-6,15-16H,7-8H2
InChIKeyYAHZVUIFHBZFCD-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.04
Rot. Bonds2

About [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol

[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol (PubChem CID 135080491) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
PubChem CID135080491
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
SMILESOCc1cc2sc3ccccc3c2cc1CO
InChIInChI=1S/C14H12O2S/c15-7-9-5-12-11-3-1-2-4-13(11)17-14(12)6-10(9)8-16/h1-6,15-16H,7-8H2
InChIKeyYAHZVUIFHBZFCD-UHFFFAOYSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzothiophene;methane
CID 162233710
bis(dibenzothiophene);ethane
CID 143921746
8,9-diiodo-5,15,25-trithiaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2,4(12),6,8,10,13,17,19,21,23,26-dodecaene
CID 166787448
2-bromodibenzothiophen-3-ol
CID 135277310
dibenzothiophene;formaldehyde
CID 20556925
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
CID 169030116
3-iododibenzothiophene
CID 86150547
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
11-fluoren-9-ylidenefluoreno[3,2-b][1]benzothiole
CID 134951184
2-(hydroxymethyl)thiochromen-4-one
CID 66937671
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol (CID 135080491) is [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol is OCc1cc2sc3ccccc3c2cc1CO.
What is the InChIKey of [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol?
The InChIKey is YAHZVUIFHBZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-7-9-5-12-11-3-1-2-4-13(11)17-14(12)6-10(9)8-16/h1-6,15-16H,7-8H2.
What are the key properties of [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol?
[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol has a molecular weight of 244.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)dibenzothiophen-2-yl]methanol is sourced from PubChem (CID 135080491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).