2-benzothiophen-1-ol

C8H6OS — CID 19698750

IUPAC2-benzothiophen-1-ol
SMILESOc1scc2ccccc12
InChIInChI=1S/C8H6OS/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H
InChIKeyQHVUCKHHXWHLPN-UHFFFAOYSA-N
MW150.20 g/mol
LogP2.61
Rot. Bonds

About 2-benzothiophen-1-ol

2-benzothiophen-1-ol (PubChem CID 19698750) has the molecular formula C8H6OS and a molecular weight of 150.20 g/mol. Its IUPAC name is 2-benzothiophen-1-ol.

Molecular Properties

Compound Name2-benzothiophen-1-ol
PubChem CID19698750
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
Exact Mass150.01
IUPAC Name2-benzothiophen-1-ol
SMILESOc1scc2ccccc12
InChIInChI=1S/C8H6OS/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H
InChIKeyQHVUCKHHXWHLPN-UHFFFAOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-benzothiophen-1-yl)methanol
CID 57200950
2-(2-benzothiophen-1-yl)acetonitrile
CID 141154303
benzo[c]thiochromen-1-one
CID 87638589
3-(2-benzothiophen-1-yl)propan-1-amine
CID 66663299
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
1-fluoronaphthalen-2-ol
CID 11094948
8-(2-benzothiophen-1-yl)-8-oxooctanoic acid
CID 68620219
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
2-benzothiophen-1-amine;methyl formate
CID 159726940
benzene-1,2-diol;perylene
CID 175494116
bis(naphthalen-1-ol);titanium(2+);dichloride
CID 21243627

Frequently Asked Questions

What is the IUPAC name of 2-benzothiophen-1-ol?
The IUPAC name of 2-benzothiophen-1-ol (CID 19698750) is 2-benzothiophen-1-ol.
What is the SMILES notation for 2-benzothiophen-1-ol?
The canonical SMILES for 2-benzothiophen-1-ol is Oc1scc2ccccc12.
What is the InChIKey of 2-benzothiophen-1-ol?
The InChIKey is QHVUCKHHXWHLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,9H.
What are the key properties of 2-benzothiophen-1-ol?
2-benzothiophen-1-ol has a molecular weight of 150.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzothiophen-1-ol is sourced from PubChem (CID 19698750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).