1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid

C12H12O3 — CID 59129550

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C12H12O3/c13-11(14)12(3-4-12)10-2-1-8-6-15-7-9(8)5-10/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyWDOQMVLDSMTVKP-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.83
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid

1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 59129550) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
PubChem CID59129550
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(c2)COC3)CC1
InChIInChI=1S/C12H12O3/c13-11(14)12(3-4-12)10-2-1-8-6-15-7-9(8)5-10/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyWDOQMVLDSMTVKP-UHFFFAOYSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 117047079
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CID 82411137
CID 160637890
CID 160637890
1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(6-hydroxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117410085
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
CID 84795332
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117367867
1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
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1-(1,3-dihydro-2-benzofuran-5-carbonylamino)cyclopropane-1-carboxylic acid
CID 65452808
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
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CID 156546720

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid (CID 59129550) is 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc3c(c2)COC3)CC1.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is WDOQMVLDSMTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c13-11(14)12(3-4-12)10-2-1-8-6-15-7-9(8)5-10/h1-2,5H,3-4,6-7H2,(H,13,14).
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid?
1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 204.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59129550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).