2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid

C14H16O2S — CID 117374320

IUPAC2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
SMILESCC1Cc2ccc(C3(CC(=O)O)CC3)cc2S1
InChIInChI=1S/C14H16O2S/c1-9-6-10-2-3-11(7-12(10)17-9)14(4-5-14)8-13(15)16/h2-3,7,9H,4-6,8H2,1H3,(H,15,16)
InChIKeyHIDRBUOBPFVEPN-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.23
Rot. Bonds3

About 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid

2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid (PubChem CID 117374320) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
PubChem CID117374320
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid
SMILESCC1Cc2ccc(C3(CC(=O)O)CC3)cc2S1
InChIInChI=1S/C14H16O2S/c1-9-6-10-2-3-11(7-12(10)17-9)14(4-5-14)8-13(15)16/h2-3,7,9H,4-6,8H2,1H3,(H,15,16)
InChIKeyHIDRBUOBPFVEPN-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropyl]acetic acid
CID 117374323
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
3-cyclopropyl-3-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)propanoic acid
CID 117410987
2-[1-(2-cyclopropyl-1,3-dihydroisoindol-5-yl)cyclopropyl]acetic acid
CID 117396653
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(2H-benzotriazol-5-yl)cyclopropyl]acetic acid
CID 84785166
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(1,3-dimethyl-2-oxo-3H-indol-5-yl)cyclopropyl]acetic acid
CID 115003473
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-[1-[3-(4-methylcyclohexyl)phenyl]cyclopropyl]acetic acid
CID 117434022
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid (CID 117374320) is 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid is CC1Cc2ccc(C3(CC(=O)O)CC3)cc2S1.
What is the InChIKey of 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid?
The InChIKey is HIDRBUOBPFVEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c1-9-6-10-2-3-11(7-12(10)17-9)14(4-5-14)8-13(15)16/h2-3,7,9H,4-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid?
2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid has a molecular weight of 248.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-2,3-dihydro-1-benzothiophen-6-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 117374320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).