(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone

C31H36N2O8 — CID 157370853

IUPAC(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(O)ccc1C(=O)N1CCOCC1.COc1cc(OCc2ccccc2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H21NO4.C12H15NO4/c1-22-18-13-16(24-14-15-5-3-2-4-6-15)7-8-17(18)19(21)20-9-11-23-12-10-20;1-16-11-8-9(14)2-3-10(11)12(15)13-4-6-17-7-5-13/h2-8,13H,9-12,14H2,1H3;2-3,8,14H,4-7H2,1H3
InChIKeyBJSZEKDFMUJVSJ-UHFFFAOYSA-N
MW564.64 g/mol
LogP3.62
Rot. Bonds7

About (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone

(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 157370853) has the molecular formula C31H36N2O8 and a molecular weight of 564.64 g/mol. Its IUPAC name is (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID157370853
Molecular FormulaC31H36N2O8
Molecular Weight564.64 g/mol
Exact Mass564.25
IUPAC Name(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone
SMILESCOc1cc(O)ccc1C(=O)N1CCOCC1.COc1cc(OCc2ccccc2)ccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H21NO4.C12H15NO4/c1-22-18-13-16(24-14-15-5-3-2-4-6-15)7-8-17(18)19(21)20-9-11-23-12-10-20;1-16-11-8-9(14)2-3-10(11)12(15)13-4-6-17-7-5-13/h2-8,13H,9-12,14H2,1H3;2-3,8,14H,4-7H2,1H3
InChIKeyBJSZEKDFMUJVSJ-UHFFFAOYSA-N
XLogP3.62
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.64
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
[4-[(3,4-dimethylphenoxy)methyl]phenyl]-morpholin-4-ylmethanone
CID 894880
(2-methoxy-4-methylsulfanylphenyl)-morpholin-4-ylmethanone
CID 4661838
2-(4-methoxy-2-phenylmethoxyphenyl)-1-morpholin-4-ylethanethione
CID 151461762
ethane;1-(2-methoxy-4-phenylmethoxybenzoyl)-N-[2-methyl-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 143670700
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440
5-(1-methylpyrazol-4-yl)-4-(morpholine-4-carbonyl)-2-phenylmethoxybenzoic acid
CID 66611117
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone;[4-(6-amino-4-methoxy-3-pyridinyl)piperidin-1-yl]-(2-fluoro-4-phenylmethoxyphenyl)methanone;phenylmethanol
CID 159154644
N-[2-(morpholine-4-carbonyl)phenyl]-2,4-bis(phenylmethoxy)-5-propan-2-ylbenzamide
CID 146316459
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(4-phenylmethoxyphenoxy)acetate
CID 55317024
[3-(2,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 29202082

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone (CID 157370853) is (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone is COc1cc(O)ccc1C(=O)N1CCOCC1.COc1cc(OCc2ccccc2)ccc1C(=O)N1CCOCC1.
What is the InChIKey of (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is BJSZEKDFMUJVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4.C12H15NO4/c1-22-18-13-16(24-14-15-5-3-2-4-6-15)7-8-17(18)19(21)20-9-11-23-12-10-20;1-16-11-8-9(14)2-3-10(11)12(15)13-4-6-17-7-5-13/h2-8,13H,9-12,14H2,1H3;2-3,8,14H,4-7H2,1H3.
What are the key properties of (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone?
(4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 564.64 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-2-methoxyphenyl)-morpholin-4-ylmethanone;(2-methoxy-4-phenylmethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 157370853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).