(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

C15H17NO4 — CID 10286112

IUPAC(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(O)cc2cc(C(=O)N3CCOCC3)oc2c1C
InChIInChI=1S/C15H17NO4/c1-9-10(2)14-11(7-12(9)17)8-13(20-14)15(18)16-3-5-19-6-4-16/h7-8,17H,3-6H2,1-2H3
InChIKeyITDKWPDUEJZPNL-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.23
Rot. Bonds1

About (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone

(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (PubChem CID 10286112) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
PubChem CID10286112
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone
SMILESCc1c(O)cc2cc(C(=O)N3CCOCC3)oc2c1C
InChIInChI=1S/C15H17NO4/c1-9-10(2)14-11(7-12(9)17)8-13(20-14)15(18)16-3-5-19-6-4-16/h7-8,17H,3-6H2,1-2H3
InChIKeyITDKWPDUEJZPNL-UHFFFAOYSA-N
XLogP2.23
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
1-[5-(morpholine-4-carbonyl)furan-2-yl]ethanone
CID 162740880
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
(2-hydroxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 162422305
5-chloro-2-(morpholine-4-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416075
morpholin-4-yl-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 166191080
[4-(4-methoxyphenyl)piperazin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone
CID 48981638
(5-methyl-1,2-thiazol-3-yl)-morpholin-4-ylmethanone
CID 84576851
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
CID 65371404
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone (CID 10286112) is (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is Cc1c(O)cc2cc(C(=O)N3CCOCC3)oc2c1C.
What is the InChIKey of (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
The InChIKey is ITDKWPDUEJZPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9-10(2)14-11(7-12(9)17)8-13(20-14)15(18)16-3-5-19-6-4-16/h7-8,17H,3-6H2,1-2H3.
What are the key properties of (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone?
(5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone has a molecular weight of 275.30 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-6,7-dimethyl-1-benzofuran-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 10286112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).