7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one

C10H8O2S — CID 145473235

IUPAC7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
SMILESO=C1c2cccc(O)c2SC12CC2
InChIInChI=1S/C10H8O2S/c11-7-3-1-2-6-8(7)13-10(4-5-10)9(6)12/h1-3,11H,4-5H2
InChIKeyPEYSRUICPXJTDB-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.21
Rot. Bonds

About 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one

7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one (PubChem CID 145473235) has the molecular formula C10H8O2S and a molecular weight of 192.24 g/mol. Its IUPAC name is 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
PubChem CID145473235
Molecular FormulaC10H8O2S
Molecular Weight192.24 g/mol
Exact Mass192.02
IUPAC Name7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one
SMILESO=C1c2cccc(O)c2SC12CC2
InChIInChI=1S/C10H8O2S/c11-7-3-1-2-6-8(7)13-10(4-5-10)9(6)12/h1-3,11H,4-5H2
InChIKeyPEYSRUICPXJTDB-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
8-(trifluoromethyl)spiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096863
8-fluorospiro[4H-1,4-benzothiazine-2,1'-cyclopentane]-3-one
CID 115097593
2,2-diacetyl-1-benzothiophen-3-one
CID 102166292
1-hydroxy-5-methylanthracene-9,10-dione
CID 10490094
hydrazine;4-hydroxyisoindole-1,3-dione
CID 172812376
CID 158452185
CID 158452185
1-chloro-5-hydroxyanthracene-9,10-dione
CID 12631756
9-hydroxy-3-methyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 115098262
3-oxospiro[4H-thieno[3,4-b][1,4]thiazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376411
(4aS,9aR)-4a,9a-dihydroxy-5-methoxy-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 134962885
(1R,13R,15R,16S)-8,23-dihydroxynonacyclo[14.11.1.02,11.02,15.04,9.011,26.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexone
CID 15975085

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The IUPAC name of 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one (CID 145473235) is 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one.
What is the SMILES notation for 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The canonical SMILES for 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one is O=C1c2cccc(O)c2SC12CC2.
What is the InChIKey of 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
The InChIKey is PEYSRUICPXJTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S/c11-7-3-1-2-6-8(7)13-10(4-5-10)9(6)12/h1-3,11H,4-5H2.
What are the key properties of 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one?
7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one has a molecular weight of 192.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyspiro[1-benzothiophene-2,1'-cyclopropane]-3-one is sourced from PubChem (CID 145473235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).