1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C14H19NO4 — CID 114798467

IUPAC1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(CCO)C1)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO4/c16-6-4-10-3-5-15(8-10)9-14(19)12-2-1-11(17)7-13(12)18/h1-2,7,10,16-18H,3-6,8-9H2
InChIKeyQXDVTNDAWWJWDS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 114798467) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID114798467
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(CN1CCC(CCO)C1)c1ccc(O)cc1O
InChIInChI=1S/C14H19NO4/c16-6-4-10-3-5-15(8-10)9-14(19)12-2-1-11(17)7-13(12)18/h1-2,7,10,16-18H,3-6,8-9H2
InChIKeyQXDVTNDAWWJWDS-UHFFFAOYSA-N
XLogP0.98
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 114798467) is 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is O=C(CN1CCC(CCO)C1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QXDVTNDAWWJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-6-4-10-3-5-15(8-10)9-14(19)12-2-1-11(17)7-13(12)18/h1-2,7,10,16-18H,3-6,8-9H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 265.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 114798467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).