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

C14H19NO5 — CID 84581547

IUPAC(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC2CO)cc1OC
InChIInChI=1S/C14H19NO5/c1-18-12-4-3-10(7-13(12)19-2)14(17)15-5-6-20-9-11(15)8-16/h3-4,7,11,16H,5-6,8-9H2,1-2H3
InChIKeyDMEYTPPBYIXSIC-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.54
Rot. Bonds4

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

(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 84581547) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID84581547
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOCC2CO)cc1OC
InChIInChI=1S/C14H19NO5/c1-18-12-4-3-10(7-13(12)19-2)14(17)15-5-6-20-9-11(15)8-16/h3-4,7,11,16H,5-6,8-9H2,1-2H3
InChIKeyDMEYTPPBYIXSIC-UHFFFAOYSA-N
XLogP0.54
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)morpholin-4-yl]-(4-methoxy-3-methylphenyl)methanone
CID 115270840
2-[(3R)-4-(3-fluoro-4-methoxybenzoyl)morpholin-3-yl]acetic acid
CID 129381420
3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 112531966
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
[3-(hydroxymethyl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 112531994
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-[(3S)-3-(hydroxymethyl)morpholine-4-carbonyl]benzonitrile
CID 97040212
[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[3-(hydroxymethyl)morpholin-4-yl]-[3-(2-methyl-4-pyridinyl)phenyl]methanone
CID 118793260

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 84581547) is (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOCC2CO)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is DMEYTPPBYIXSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-12-4-3-10(7-13(12)19-2)14(17)15-5-6-20-9-11(15)8-16/h3-4,7,11,16H,5-6,8-9H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 281.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 84581547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).