2-(3-methyl-1-benzothiophen-2-yl)acetic acid

C11H10O2S — CID 2779867

IUPAC2-(3-methyl-1-benzothiophen-2-yl)acetic acid
SMILESCc1c(CC(=O)O)sc2ccccc12
InChIInChI=1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyMFVMWBIORCNCNB-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-methyl-1-benzothiophen-2-yl)acetic acid

2-(3-methyl-1-benzothiophen-2-yl)acetic acid (PubChem CID 2779867) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-(3-methyl-1-benzothiophen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methyl-1-benzothiophen-2-yl)acetic acid
PubChem CID2779867
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name2-(3-methyl-1-benzothiophen-2-yl)acetic acid
SMILESCc1c(CC(=O)O)sc2ccccc12
InChIInChI=1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKeyMFVMWBIORCNCNB-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)acetic acid?
The IUPAC name of 2-(3-methyl-1-benzothiophen-2-yl)acetic acid (CID 2779867) is 2-(3-methyl-1-benzothiophen-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methyl-1-benzothiophen-2-yl)acetic acid?
The canonical SMILES for 2-(3-methyl-1-benzothiophen-2-yl)acetic acid is Cc1c(CC(=O)O)sc2ccccc12.
What is the InChIKey of 2-(3-methyl-1-benzothiophen-2-yl)acetic acid?
The InChIKey is MFVMWBIORCNCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-8-4-2-3-5-9(8)14-10(7)6-11(12)13/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of 2-(3-methyl-1-benzothiophen-2-yl)acetic acid?
2-(3-methyl-1-benzothiophen-2-yl)acetic acid has a molecular weight of 206.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-benzothiophen-2-yl)acetic acid is sourced from PubChem (CID 2779867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).