2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one

C14H19NO4 — CID 117008495

IUPAC2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
SMILESCOc1cccc(N2CCOC(CCCO)C2=O)c1
InChIInChI=1S/C14H19NO4/c1-18-12-5-2-4-11(10-12)15-7-9-19-13(14(15)17)6-3-8-16/h2,4-5,10,13,16H,3,6-9H2,1H3
InChIKeyBIQHAQQYUCFBAQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds5

About 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one

2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one (PubChem CID 117008495) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
PubChem CID117008495
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one
SMILESCOc1cccc(N2CCOC(CCCO)C2=O)c1
InChIInChI=1S/C14H19NO4/c1-18-12-5-2-4-11(10-12)15-7-9-19-13(14(15)17)6-3-8-16/h2,4-5,10,13,16H,3,6-9H2,1H3
InChIKeyBIQHAQQYUCFBAQ-UHFFFAOYSA-N
XLogP1.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008421
3-[2-(2-hydroxyethyl)-3-oxomorpholin-4-yl]benzonitrile
CID 117008427
2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608
1-(3-methoxyphenyl)-3-sulfanylpyrrolidin-2-one
CID 58957147
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
6-(hydroxymethyl)-3-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115009739
(3S)-3-acetyl-1-(3-methoxyphenyl)piperidin-2-one
CID 125457892
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 100810508
(1S,2S,6S,7S)-4-(3-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306234
6-(3-aminopropyl)-4-(3-methoxyphenyl)morpholin-3-one
CID 115060280
1-(3-methoxyphenyl)-5-methyl-2,3,5,6-tetrahydro-4,1-benzoxazocine
CID 69333373
4-(2,2-dimethylpropanoyl)-1-(3-methoxyphenyl)-3-methylpiperazin-2-one
CID 24715973

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one (CID 117008495) is 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one is COc1cccc(N2CCOC(CCCO)C2=O)c1.
What is the InChIKey of 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one?
The InChIKey is BIQHAQQYUCFBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-5-2-4-11(10-12)15-7-9-19-13(14(15)17)6-3-8-16/h2,4-5,10,13,16H,3,6-9H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one?
2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one has a molecular weight of 265.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-4-(3-methoxyphenyl)morpholin-3-one is sourced from PubChem (CID 117008495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).