(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol

C13H19NO2 — CID 103942831

IUPAC(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N1CCC(CO)C1
InChIInChI=1S/C13H19NO2/c1-10(16)12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,10-11,15-16H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyRLDRVBGRXGMKSN-NFJWQWPMSA-N
MW221.30 g/mol
LogP1.56
Rot. Bonds3

About (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol

(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol (PubChem CID 103942831) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
PubChem CID103942831
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccccc1N1CCC(CO)C1
InChIInChI=1S/C13H19NO2/c1-10(16)12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,10-11,15-16H,6-9H2,1H3/t10-,11?/m1/s1
InChIKeyRLDRVBGRXGMKSN-NFJWQWPMSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
CID 117028454
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
1-[2-(3-propylazetidin-1-yl)phenyl]ethanol
CID 104549305
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanol
CID 63170127
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
[1-[2-(dimethylamino)phenyl]pyrrolidin-3-yl]methanol
CID 106760827

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol (CID 103942831) is (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol is C[C@@H](O)c1ccccc1N1CCC(CO)C1.
What is the InChIKey of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
The InChIKey is RLDRVBGRXGMKSN-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(16)12-4-2-3-5-13(12)14-7-6-11(8-14)9-15/h2-5,10-11,15-16H,6-9H2,1H3/t10-,11?/m1/s1.
What are the key properties of (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol?
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 103942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).