(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

C15H21NO4 — CID 102737645

IUPAC(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(O)cc(O)c2)CC(C)(C)O1
InChIInChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,8-9H2,1-4H3
InChIKeyBSRNWTNCHYCWKA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.13
Rot. Bonds1

About (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone

(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (PubChem CID 102737645) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
PubChem CID102737645
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cc(O)cc(O)c2)CC(C)(C)O1
InChIInChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,8-9H2,1-4H3
InChIKeyBSRNWTNCHYCWKA-UHFFFAOYSA-N
XLogP2.13
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,5-dichlorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743680
(3,5-dihydroxyphenyl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 107703961
(4-sulfanylphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107036706
(2,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 107723950
(2-amino-6-chloro-4-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102737678
1-methyl-4-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyridin-2-one
CID 102737698
1-(3,5-dihydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 107702562
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(2,2,6,6-tetramethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 102737670
[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745170
(6-hydrazinyl-3-pyridinyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102745686
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843

Frequently Asked Questions

What is the IUPAC name of (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The IUPAC name of (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone (CID 102737645) is (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is CC1(C)CN(C(=O)c2cc(O)cc(O)c2)CC(C)(C)O1.
What is the InChIKey of (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
The InChIKey is BSRNWTNCHYCWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2)8-16(9-15(3,4)20-14)13(19)10-5-11(17)7-12(18)6-10/h5-7,17-18H,8-9H2,1-4H3.
What are the key properties of (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone?
(3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dihydroxyphenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone is sourced from PubChem (CID 102737645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).