[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

C21H21NO4 — CID 22274541

IUPAC[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCO)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C21H21NO4/c23-10-7-19-14-18-13-17(5-6-20(18)26-19)15-1-3-16(4-2-15)21(24)22-8-11-25-12-9-22/h1-6,13-14,23H,7-12H2
InChIKeyXJUCYDGXRLBXEY-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.11
Rot. Bonds4

About [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 22274541) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID22274541
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3oc(CCO)cc3c2)cc1)N1CCOCC1
InChIInChI=1S/C21H21NO4/c23-10-7-19-14-18-13-17(5-6-20(18)26-19)15-1-3-16(4-2-15)21(24)22-8-11-25-12-9-22/h1-6,13-14,23H,7-12H2
InChIKeyXJUCYDGXRLBXEY-UHFFFAOYSA-N
XLogP3.11
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-[2-(diethylamino)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10201388
2-[5-[4-(morpholine-4-carbonyl)phenyl]-1-benzofuran-2-yl]ethyl methanesulfonate
CID 22274531
[4-[2-[2-[ethyl(propyl)amino]ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10136940
[4-[2-[2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone
CID 10048448
[6-[2-[2-(5-hydroxy-2,3-dihydropyrrol-1-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 70142559
[6-[2-[2-(5-hydroxy-2-azabicyclo[2.2.1]heptan-2-yl)ethyl]-1-benzofuran-5-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 67534144
[5-[2-[2-[(2S)-2-hydroxypyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 10002279
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
CID 59599773
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]ethanone
CID 24736094

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone (CID 22274541) is [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3oc(CCO)cc3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is XJUCYDGXRLBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-10-7-19-14-18-13-17(5-6-20(18)26-19)15-1-3-16(4-2-15)21(24)22-8-11-25-12-9-22/h1-6,13-14,23H,7-12H2.
What are the key properties of [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 351.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-hydroxyethyl)-1-benzofuran-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 22274541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).