(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol

C22H29NO2 — CID 44627855

IUPAC(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
SMILESCN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C22H29NO2/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/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22-/m1/s1
InChIKeyMVNBPMNELMRFMU-DENIHFKCSA-N
MW339.48 g/mol
LogP4.86
Rot. Bonds4

About (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol

(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol (PubChem CID 44627855) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
PubChem CID44627855
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
SMILESCN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C22H29NO2/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/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22-/m1/s1
InChIKeyMVNBPMNELMRFMU-DENIHFKCSA-N
XLogP4.86
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol?
The IUPAC name of (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol (CID 44627855) is (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol?
The canonical SMILES for (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol is CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1.
What is the InChIKey of (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol?
The InChIKey is MVNBPMNELMRFMU-DENIHFKCSA-N. The full InChI is InChI=1S/C22H29NO2/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/h2,4-5,9-10,14-15,18-19,24H,3,6-8,11-13,16H2,1H3/t19-,22-/m1/s1.
What are the key properties of (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol?
(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol has a molecular weight of 339.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol is sourced from PubChem (CID 44627855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).