[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol

C12H14O3 — CID 123498759

IUPAC[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol
SMILESOC(O)C1CC1c1cccc2c1CCO2
InChIInChI=1S/C12H14O3/c13-12(14)10-6-9(10)7-2-1-3-11-8(7)4-5-15-11/h1-3,9-10,12-14H,4-6H2
InChIKeyAERGBUHSEXCNHV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.04
Rot. Bonds2

About [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol

[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol (PubChem CID 123498759) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol.

Molecular Properties

Compound Name[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol
PubChem CID123498759
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol
SMILESOC(O)C1CC1c1cccc2c1CCO2
InChIInChI=1S/C12H14O3/c13-12(14)10-6-9(10)7-2-1-3-11-8(7)4-5-15-11/h1-3,9-10,12-14H,4-6H2
InChIKeyAERGBUHSEXCNHV-UHFFFAOYSA-N
XLogP1.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]acetamide
CID 123181605
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanamine
CID 18787377
N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide
CID 18787372
2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
CID 141406092
2-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)cyclopropane-1-carbaldehyde
CID 18787409
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
CID 96763066
1-[3-(2,3-dihydro-1-benzofuran-4-yl)-2,2-dimethylcyclopropyl]propan-1-one
CID 20778840
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 177208658
3-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]-2-methylbutanamide
CID 67599930
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol?
The IUPAC name of [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol (CID 123498759) is [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol.
What is the SMILES notation for [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol?
The canonical SMILES for [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol is OC(O)C1CC1c1cccc2c1CCO2.
What is the InChIKey of [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol?
The InChIKey is AERGBUHSEXCNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-12(14)10-6-9(10)7-2-1-3-11-8(7)4-5-15-11/h1-3,9-10,12-14H,4-6H2.
What are the key properties of [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol?
[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol has a molecular weight of 206.24 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methanediol is sourced from PubChem (CID 123498759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).