[1]benzothiolo[2,3-f][1]benzofuran-1-ol

C14H8O2S — CID 90693003

IUPAC[1]benzothiolo[2,3-f][1]benzofuran-1-ol
SMILESOc1coc2cc3c(cc12)sc1ccccc13
InChIInChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-7,15H
InChIKeyPWXZBRUBEKEBHY-UHFFFAOYSA-N
MW240.28 g/mol
LogP4.51
Rot. Bonds

About [1]benzothiolo[2,3-f][1]benzofuran-1-ol

[1]benzothiolo[2,3-f][1]benzofuran-1-ol (PubChem CID 90693003) has the molecular formula C14H8O2S and a molecular weight of 240.28 g/mol. Its IUPAC name is [1]benzothiolo[2,3-f][1]benzofuran-1-ol.

Molecular Properties

Compound Name[1]benzothiolo[2,3-f][1]benzofuran-1-ol
PubChem CID90693003
Molecular FormulaC14H8O2S
Molecular Weight240.28 g/mol
Exact Mass240.02
IUPAC Name[1]benzothiolo[2,3-f][1]benzofuran-1-ol
SMILESOc1coc2cc3c(cc12)sc1ccccc13
InChIInChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-7,15H
InChIKeyPWXZBRUBEKEBHY-UHFFFAOYSA-N
XLogP4.51
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromodibenzothiophen-3-ol
CID 135277310
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
3-[10-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-2-yl)anthracen-9-yl]-[1]benzothiolo[3,2-f][1]benzofuran
CID 176744623
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776
dibenzothiophene;methane
CID 162233710
[3-(hydroxymethyl)dibenzothiophen-2-yl]methanol
CID 135080491
bis(dibenzothiophene);ethane
CID 143921746
dibenzothiophene;formaldehyde
CID 20556925
2-bromodibenzothiophene;dibenzothiophene
CID 158379286
3-iododibenzothiophene
CID 86150547
dibenzothiophene;ethane;molecular hydrogen
CID 145320534
10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18-nonaene
CID 70846389

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-f][1]benzofuran-1-ol?
The IUPAC name of [1]benzothiolo[2,3-f][1]benzofuran-1-ol (CID 90693003) is [1]benzothiolo[2,3-f][1]benzofuran-1-ol.
What is the SMILES notation for [1]benzothiolo[2,3-f][1]benzofuran-1-ol?
The canonical SMILES for [1]benzothiolo[2,3-f][1]benzofuran-1-ol is Oc1coc2cc3c(cc12)sc1ccccc13.
What is the InChIKey of [1]benzothiolo[2,3-f][1]benzofuran-1-ol?
The InChIKey is PWXZBRUBEKEBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O2S/c15-11-7-16-12-5-9-8-3-1-2-4-13(8)17-14(9)6-10(11)12/h1-7,15H.
What are the key properties of [1]benzothiolo[2,3-f][1]benzofuran-1-ol?
[1]benzothiolo[2,3-f][1]benzofuran-1-ol has a molecular weight of 240.28 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-f][1]benzofuran-1-ol is sourced from PubChem (CID 90693003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).