4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol

C13H17NO2 — CID 84786785

IUPAC4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESOc1ccc2c(c1CC1CCNC1)COC2
InChIInChI=1S/C13H17NO2/c15-13-2-1-10-7-16-8-12(10)11(13)5-9-3-4-14-6-9/h1-2,9,14-15H,3-8H2
InChIKeyRCOOCYSNPNKJFR-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.57
Rot. Bonds2

About 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol

4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol (PubChem CID 84786785) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol.

Molecular Properties

Compound Name4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol
PubChem CID84786785
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol
SMILESOc1ccc2c(c1CC1CCNC1)COC2
InChIInChI=1S/C13H17NO2/c15-13-2-1-10-7-16-8-12(10)11(13)5-9-3-4-14-6-9/h1-2,9,14-15H,3-8H2
InChIKeyRCOOCYSNPNKJFR-UHFFFAOYSA-N
XLogP1.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-5-ol
CID 84794766
4-bromo-3-fluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84810264
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512
3-fluoro-4-methyl-2-(piperidin-4-ylmethyl)phenol
CID 84789130
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
1-(piperidin-3-ylmethyl)naphthalen-2-ol
CID 84801092
2-fluoro-4-(pyrrolidin-3-ylmethyl)benzene-1,3-diol
CID 84781540
3-(3,4-dihydro-1H-isochromen-8-ylmethyl)pyrrolidine
CID 84785514
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
4-bromo-3,5-difluoro-2-(pyrrolidin-3-ylmethyl)phenol
CID 84814975

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol?
The IUPAC name of 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol (CID 84786785) is 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol.
What is the SMILES notation for 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol?
The canonical SMILES for 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol is Oc1ccc2c(c1CC1CCNC1)COC2.
What is the InChIKey of 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol?
The InChIKey is RCOOCYSNPNKJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13-2-1-10-7-16-8-12(10)11(13)5-9-3-4-14-6-9/h1-2,9,14-15H,3-8H2.
What are the key properties of 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol?
4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol has a molecular weight of 219.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidin-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-ol is sourced from PubChem (CID 84786785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).