[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C12H15NO3 — CID 66261496

IUPAC[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c14-8-9-1-3-10(4-2-9)12(16)13-6-5-11(15)7-13/h1-4,11,14-15H,5-8H2/t11-/m1/s1
InChIKeyWMIKMVIRMMTGPT-LLVKDONJSA-N
MW221.26 g/mol
LogP0.39
Rot. Bonds2

About [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261496) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261496
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CC[C@@H](O)C1
InChIInChI=1S/C12H15NO3/c14-8-9-1-3-10(4-2-9)12(16)13-6-5-11(15)7-13/h1-4,11,14-15H,5-8H2/t11-/m1/s1
InChIKeyWMIKMVIRMMTGPT-LLVKDONJSA-N
XLogP0.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
(4-aminophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916792
N-[[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 62917587
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(4-tert-butylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 58949513
(3-hydroxypyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 62917916
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 66262361
[4-(dimethylamino)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261919
[4-(diethylamino)phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030131
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
[4-(4-hydroxybut-1-ynyl)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55132342
N-[4-(3-hydroxypyrrolidine-1-carbonyl)phenyl]acetamide
CID 62918779

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261496) is [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1ccc(CO)cc1)N1CC[C@@H](O)C1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is WMIKMVIRMMTGPT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-9-1-3-10(4-2-9)12(16)13-6-5-11(15)7-13/h1-4,11,14-15H,5-8H2/t11-/m1/s1.
What are the key properties of [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
[4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 221.26 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).