(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C14H19NO4 — CID 107722906

IUPAC(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCC1CCCO
InChIInChI=1S/C14H19NO4/c16-8-2-4-10-3-1-7-15(10)14(19)12-9-11(17)5-6-13(12)18/h5-6,9-10,16-18H,1-4,7-8H2
InChIKeyDYHHKWCNOOPETI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds4

About (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 107722906) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID107722906
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(O)ccc1O)N1CCCC1CCCO
InChIInChI=1S/C14H19NO4/c16-8-2-4-10-3-1-7-15(10)14(19)12-9-11(17)5-6-13(12)18/h5-6,9-10,16-18H,1-4,7-8H2
InChIKeyDYHHKWCNOOPETI-UHFFFAOYSA-N
XLogP1.47
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107722473
(4-fluoro-2-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103933013
[2-(chloromethyl)piperidin-1-yl]-(2,5-dihydroxyphenyl)methanone
CID 107725782
(3-hydroxy-2-methylphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 82828961
[2-(3-aminopropyl)pyrrolidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 107726352
[2-(3-chloropropyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299551
(2,4-dihydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261819
(2,4-dihydroxyphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030278
(4-amino-3-hydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 107075139
(2-bromo-4-chlorophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932949
(5-bromo-2-hydroxyphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955443

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 107722906) is (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is O=C(c1cc(O)ccc1O)N1CCCC1CCCO.
What is the InChIKey of (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is DYHHKWCNOOPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-8-2-4-10-3-1-7-15(10)14(19)12-9-11(17)5-6-13(12)18/h5-6,9-10,16-18H,1-4,7-8H2.
What are the key properties of (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
(2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 265.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 107722906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).