(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol

C18H21NO — CID 11780507

IUPAC(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)17-12-7-13-19(17)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18-/m0/s1
InChIKeyHULBHXXRMFVTCL-ROUUACIJSA-N
MW267.37 g/mol
LogP3.38
Rot. Bonds4

About (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol

(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol (PubChem CID 11780507) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol
PubChem CID11780507
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol
SMILESO[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1
InChIInChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)17-12-7-13-19(17)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18-/m0/s1
InChIKeyHULBHXXRMFVTCL-ROUUACIJSA-N
XLogP3.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol?
The IUPAC name of (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol (CID 11780507) is (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol?
The canonical SMILES for (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol is O[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccccc1.
What is the InChIKey of (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol?
The InChIKey is HULBHXXRMFVTCL-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(16-10-5-2-6-11-16)17-12-7-13-19(17)14-15-8-3-1-4-9-15/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18-/m0/s1.
What are the key properties of (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol?
(S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol has a molecular weight of 267.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2S)-1-benzylpyrrolidin-2-yl]-phenylmethanol is sourced from PubChem (CID 11780507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).