[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol

C22H25NO2 — CID 11232950

IUPAC[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3cccc(CO)c3)ccc2o1
InChIInChI=1S/C22H25NO2/c1-16-4-3-10-23(16)11-9-21-14-20-13-19(7-8-22(20)25-21)18-6-2-5-17(12-18)15-24/h2,5-8,12-14,16,24H,3-4,9-11,15H2,1H3/t16-/m1/s1
InChIKeyUDITUAWGQZPNSI-MRXNPFEDSA-N
MW335.45 g/mol
LogP4.62
Rot. Bonds5

About [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol

[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol (PubChem CID 11232950) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol
PubChem CID11232950
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol
SMILESC[C@@H]1CCCN1CCc1cc2cc(-c3cccc(CO)c3)ccc2o1
InChIInChI=1S/C22H25NO2/c1-16-4-3-10-23(16)11-9-21-14-20-13-19(7-8-22(20)25-21)18-6-2-5-17(12-18)15-24/h2,5-8,12-14,16,24H,3-4,9-11,15H2,1H3/t16-/m1/s1
InChIKeyUDITUAWGQZPNSI-MRXNPFEDSA-N
XLogP4.62
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol?
The IUPAC name of [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol (CID 11232950) is [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol?
The canonical SMILES for [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol is C[C@@H]1CCCN1CCc1cc2cc(-c3cccc(CO)c3)ccc2o1.
What is the InChIKey of [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol?
The InChIKey is UDITUAWGQZPNSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25NO2/c1-16-4-3-10-23(16)11-9-21-14-20-13-19(7-8-22(20)25-21)18-6-2-5-17(12-18)15-24/h2,5-8,12-14,16,24H,3-4,9-11,15H2,1H3/t16-/m1/s1.
What are the key properties of [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol?
[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol has a molecular weight of 335.45 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]methanol is sourced from PubChem (CID 11232950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).