1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid

C14H16O4 — CID 117373233

IUPAC1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3c2COC3)CCCC1
InChIInChI=1S/C14H16O4/c15-11-4-3-9-7-18-8-10(9)12(11)14(13(16)17)5-1-2-6-14/h3-4,15H,1-2,5-8H2,(H,16,17)
InChIKeyOEIKSIYCZHCVDH-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid

1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid (PubChem CID 117373233) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid
PubChem CID117373233
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3c2COC3)CCCC1
InChIInChI=1S/C14H16O4/c15-11-4-3-9-7-18-8-10(9)12(11)14(13(16)17)5-1-2-6-14/h3-4,15H,1-2,5-8H2,(H,16,17)
InChIKeyOEIKSIYCZHCVDH-UHFFFAOYSA-N
XLogP2.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117336247
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84771858
1-(6-fluoro-4H-1,3-benzodioxin-5-yl)cyclopentane-1-carboxylic acid
CID 117419382
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117348923
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 59129550
1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(6-bromo-2,3-dihydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117462709

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid (CID 117373233) is 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2c(O)ccc3c2COC3)CCCC1.
What is the InChIKey of 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid?
The InChIKey is OEIKSIYCZHCVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c15-11-4-3-9-7-18-8-10(9)12(11)14(13(16)17)5-1-2-6-14/h3-4,15H,1-2,5-8H2,(H,16,17).
What are the key properties of 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid?
1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117373233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).