1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid

C14H14O3S — CID 117410446

IUPAC1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3sccc3c2O)CCCC1
InChIInChI=1S/C14H14O3S/c15-12-9-5-8-18-11(9)4-3-10(12)14(13(16)17)6-1-2-7-14/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyFAYCTMAIDVQADT-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.50
Rot. Bonds2

About 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid

1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid (PubChem CID 117410446) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid
PubChem CID117410446
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3sccc3c2O)CCCC1
InChIInChI=1S/C14H14O3S/c15-12-9-5-8-18-11(9)4-3-10(12)14(13(16)17)6-1-2-7-14/h3-5,8,15H,1-2,6-7H2,(H,16,17)
InChIKeyFAYCTMAIDVQADT-UHFFFAOYSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(aminomethyl)cyclohexyl]-1-benzothiophen-4-ol
CID 117408516
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(2-fluorothiophen-3-yl)cyclobutane-1-carboxylic acid
CID 96620305
1-(4-hydroxy-2-methyl-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117435909
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-thieno[2,3-d][1,2]thiazol-3-ylcyclopentane-1-carboxylic acid
CID 82623256
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777
1-(1-hydroxy-5-methoxynaphthalen-2-yl)cyclobutane-1-carboxylic acid
CID 117433459
1-(1,3-benzothiazol-4-yl)cyclopentane-1-carboxylic acid
CID 117370863

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid (CID 117410446) is 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc3sccc3c2O)CCCC1.
What is the InChIKey of 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid?
The InChIKey is FAYCTMAIDVQADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c15-12-9-5-8-18-11(9)4-3-10(12)14(13(16)17)6-1-2-7-14/h3-5,8,15H,1-2,6-7H2,(H,16,17).
What are the key properties of 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid?
1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid has a molecular weight of 262.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-benzothiophen-5-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117410446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).