6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

C9H10O2S — CID 82407703

IUPAC6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCc1cc2c(s1)CC(O)CC2=O
InChIInChI=1S/C9H10O2S/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2,6,10H,3-4H2,1H3
InChIKeyIJXMEBQTRWOJTF-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.55
Rot. Bonds

About 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one

6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one (PubChem CID 82407703) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
PubChem CID82407703
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
SMILESCc1cc2c(s1)CC(O)CC2=O
InChIInChI=1S/C9H10O2S/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2,6,10H,3-4H2,1H3
InChIKeyIJXMEBQTRWOJTF-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Hydroxy(6-oxocyclohex-1-en-1-yl)methyl)thiophene-2-carbaldehyde
CID 162368602
5-(Hydroxy(6-oxocyclohex-1-en-1-yl)methyl)thiophene-3-carbaldehyde
CID 162368603
2-(hydroxymethyl)-6,7-dihydro-5H-1-benzothiophen-4-one
CID 14721566
2-(Hydroxymethyl)-5-methylidene-6,7-dihydro-1-benzothiophen-4-one
CID 14721567
5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one
CID 16639090
1-(Benzo[b]thiophen-2-yl)-2-hydroxyethanone
CID 17992901
2-Hydroxy-3-(4-methylthiophen-2-yl)-1-phenylpropan-1-one
CID 53645036
3-Hydroxy-2-methyl-1-phenyl-2-thiophen-2-ylpropan-1-one
CID 54492249
5-(Hydroxymethyl)-5-methyl-6,7-dihydro-1-benzothiophen-4-one
CID 59889235
2-Oxo-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetic acid
CID 68838892
(5R)-5-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-one
CID 69931534
2-(1-Hydroxyethyl)-2,3-dihydrothieno[3,2-f][1]benzothiole-4,8-dione
CID 71126095

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The IUPAC name of 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one (CID 82407703) is 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.
What is the SMILES notation for 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The canonical SMILES for 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one is Cc1cc2c(s1)CC(O)CC2=O.
What is the InChIKey of 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
The InChIKey is IJXMEBQTRWOJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2,6,10H,3-4H2,1H3.
What are the key properties of 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one?
6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one has a molecular weight of 182.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one is sourced from PubChem (CID 82407703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).