(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C12H15NO5 — CID 114344564

IUPAC(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(O)c1O)N1CCOC(CO)C1
InChIInChI=1S/C12H15NO5/c14-7-8-6-13(4-5-18-8)12(17)9-2-1-3-10(15)11(9)16/h1-3,8,14-16H,4-7H2
InChIKeyHNRHGAQFGLDEAO-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.07
Rot. Bonds2

About (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 114344564) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID114344564
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(O)c1O)N1CCOC(CO)C1
InChIInChI=1S/C12H15NO5/c14-7-8-6-13(4-5-18-8)12(17)9-2-1-3-10(15)11(9)16/h1-3,8,14-16H,4-7H2
InChIKeyHNRHGAQFGLDEAO-UHFFFAOYSA-N
XLogP-0.07
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
[2-(hydroxymethyl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 81208124
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
[2-(hydroxymethyl)morpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81209075
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
[2-(hydroxymethyl)morpholin-4-yl]-[3-(3-hydroxyprop-1-ynyl)-2-methylphenyl]methanone
CID 81207995
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206264

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 114344564) is (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1cccc(O)c1O)N1CCOC(CO)C1.
What is the InChIKey of (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HNRHGAQFGLDEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-7-8-6-13(4-5-18-8)12(17)9-2-1-3-10(15)11(9)16/h1-3,8,14-16H,4-7H2.
What are the key properties of (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 253.25 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 114344564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).