2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

C10H10O3S — CID 117200338

IUPAC2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)CC1CSc2cccc(O)c21
InChIInChI=1S/C10H10O3S/c11-7-2-1-3-8-10(7)6(5-14-8)4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyKDGPTNJRDIBCMU-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.06
Rot. Bonds2

About 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid

2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (PubChem CID 117200338) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
PubChem CID117200338
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
SMILESO=C(O)CC1CSc2cccc(O)c21
InChIInChI=1S/C10H10O3S/c11-7-2-1-3-8-10(7)6(5-14-8)4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyKDGPTNJRDIBCMU-UHFFFAOYSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200294
3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200332
3-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199872
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
3-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)-2,2-dimethylpropanoic acid
CID 117199877
2-(1-ethyl-4-hydroxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200526
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)acetaldehyde
CID 117199804
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
2-[4-(2-methylprop-2-enyl)-2,3-dihydro-1,4-benzothiazin-3-yl]acetic acid
CID 82363868
(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
CID 131036789
2-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrrolidin-2-yl]acetic acid
CID 79221425
2-[4-[(2-chloro-6-hydroxyphenyl)methyl]thiomorpholin-3-yl]acetic acid
CID 113277191

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The IUPAC name of 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid (CID 117200338) is 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The canonical SMILES for 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is O=C(O)CC1CSc2cccc(O)c21.
What is the InChIKey of 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
The InChIKey is KDGPTNJRDIBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-7-2-1-3-8-10(7)6(5-14-8)4-9(12)13/h1-3,6,11H,4-5H2,(H,12,13).
What are the key properties of 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid?
2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid has a molecular weight of 210.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid is sourced from PubChem (CID 117200338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).