2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol

C15H23NO3 — CID 3076614

IUPAC2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol
SMILESOCC1CCCN1CCOCC(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c17-11-14-7-4-8-16(14)9-10-19-12-15(18)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2
InChIKeyYKQHXGBABSNCNK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol

2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol (PubChem CID 3076614) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol
PubChem CID3076614
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol
SMILESOCC1CCCN1CCOCC(O)c1ccccc1
InChIInChI=1S/C15H23NO3/c17-11-14-7-4-8-16(14)9-10-19-12-15(18)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2
InChIKeyYKQHXGBABSNCNK-UHFFFAOYSA-N
XLogP1.19
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol?
The IUPAC name of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol (CID 3076614) is 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol is OCC1CCCN1CCOCC(O)c1ccccc1.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol?
The InChIKey is YKQHXGBABSNCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-11-14-7-4-8-16(14)9-10-19-12-15(18)13-5-2-1-3-6-13/h1-3,5-6,14-15,17-18H,4,7-12H2.
What are the key properties of 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol?
2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol has a molecular weight of 265.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-phenylethanol is sourced from PubChem (CID 3076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).