[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol

C22H23NO2 — CID 44627739

IUPAC[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol
SMILESCN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,24H,8,13,16H2,1H3
InChIKeyCHXGLJOIUDBPTI-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.33
Rot. Bonds4

About [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol

[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol (PubChem CID 44627739) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol.

Molecular Properties

Compound Name[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol
PubChem CID44627739
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol
SMILESCN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C22H23NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,24H,8,13,16H2,1H3
InChIKeyCHXGLJOIUDBPTI-UHFFFAOYSA-N
XLogP4.33
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol?
The IUPAC name of [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol (CID 44627739) is [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol.
What is the SMILES notation for [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol?
The canonical SMILES for [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol is CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol?
The InChIKey is CHXGLJOIUDBPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23-16-8-13-19(23)20-14-15-21(25-20)22(24,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,14-15,19,24H,8,13,16H2,1H3.
What are the key properties of [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol?
[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol has a molecular weight of 333.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol is sourced from PubChem (CID 44627739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).