(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C14H19NO5 — CID 81208576

IUPAC(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H19NO5/c1-18-11-5-10(6-12(7-11)19-2)14(17)15-3-4-20-13(8-15)9-16/h5-7,13,16H,3-4,8-9H2,1-2H3
InChIKeyPUUWNUSKZKBHKL-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.54
Rot. Bonds4

About (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81208576) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81208576
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H19NO5/c1-18-11-5-10(6-12(7-11)19-2)14(17)15-3-4-20-13(8-15)9-16/h5-7,13,16H,3-4,8-9H2,1-2H3
InChIKeyPUUWNUSKZKBHKL-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

(3,5-dimethoxyphenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51710349
(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81206339
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
(3,5-dimethoxyphenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327180
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
3-[(2R)-2-cyclopropylmorpholine-4-carbonyl]-5-methoxybenzoic acid
CID 126438922
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986
[2-(hydroxymethyl)morpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203428
(3,4-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207977
[2-(chloromethyl)morpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 81210339
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81208576) is (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is COc1cc(OC)cc(C(=O)N2CCOC(CO)C2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is PUUWNUSKZKBHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-11-5-10(6-12(7-11)19-2)14(17)15-3-4-20-13(8-15)9-16/h5-7,13,16H,3-4,8-9H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3,5-dimethoxyphenyl)-[2-(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 (3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).