[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone

C15H17NO4 — CID 18105358

IUPAC[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCOCc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-18-10-12-11-4-2-3-5-13(11)20-14(12)15(17)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3
InChIKeySKRUWWSOIIYWFM-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.05
Rot. Bonds3

About [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone

[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone (PubChem CID 18105358) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
PubChem CID18105358
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
SMILESCOCc1c(C(=O)N2CCOCC2)oc2ccccc12
InChIInChI=1S/C15H17NO4/c1-18-10-12-11-4-2-3-5-13(11)20-14(12)15(17)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3
InChIKeySKRUWWSOIIYWFM-UHFFFAOYSA-N
XLogP2.05
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]morpholine-2-carboxylic acid
CID 119238690
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 38067374
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9092877
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55641422
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 29456814
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone
CID 9077159
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
CID 31287590
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 55601347
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 71927991
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 2474519

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone (CID 18105358) is [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone is COCc1c(C(=O)N2CCOCC2)oc2ccccc12.
What is the InChIKey of [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SKRUWWSOIIYWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-10-12-11-4-2-3-5-13(11)20-14(12)15(17)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3.
What are the key properties of [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone?
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone has a molecular weight of 275.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 18105358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).