4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one

C13H17NO4 — CID 117008644

IUPAC4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one
SMILESCCOc1ccccc1N1CCOC(CO)C1=O
InChIInChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)14-7-8-18-12(9-15)13(14)16/h3-6,12,15H,2,7-9H2,1H3
InChIKeyQNLRPOIDWPJWOZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.81
Rot. Bonds4

About 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one

4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one (PubChem CID 117008644) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one
PubChem CID117008644
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one
SMILESCCOc1ccccc1N1CCOC(CO)C1=O
InChIInChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)14-7-8-18-12(9-15)13(14)16/h3-6,12,15H,2,7-9H2,1H3
InChIKeyQNLRPOIDWPJWOZ-UHFFFAOYSA-N
XLogP0.81
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-4-phenylmorpholin-3-one
CID 117008608
4-(4-bromophenyl)-2-(hydroxymethyl)morpholin-3-one
CID 117008639
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
1-(2-ethoxyphenyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64957042
1-(2-ethoxyphenyl)-4-(2-methoxybenzoyl)-3-methylpiperazin-2-one
CID 42847356
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
1-(2-ethoxyphenyl)-2-methylpiperidin-4-one
CID 54975575
(3S)-4-(3-bromobenzoyl)-1-(2-ethoxyphenyl)-3-methylpiperazin-2-one
CID 93114358
1-(2-ethoxyphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 119402096
3-(2-ethoxyphenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81197579
(3aR,7aR)-2-(2-ethoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 821551
1-(2-ethoxyphenyl)-4-propan-2-ylpyrrolidin-2-one
CID 139322997

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one?
The IUPAC name of 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one (CID 117008644) is 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one.
What is the SMILES notation for 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one?
The canonical SMILES for 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one is CCOc1ccccc1N1CCOC(CO)C1=O.
What is the InChIKey of 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one?
The InChIKey is QNLRPOIDWPJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-2-17-11-6-4-3-5-10(11)14-7-8-18-12(9-15)13(14)16/h3-6,12,15H,2,7-9H2,1H3.
What are the key properties of 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one?
4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one has a molecular weight of 251.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)-2-(hydroxymethyl)morpholin-3-one is sourced from PubChem (CID 117008644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).