3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one

C22H20O5 — CID 178142994

IUPAC3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one
SMILESCCCCC1OC(=O)c2c1ccc1oc(C(=O)c3ccc(OC)cc3)cc21
InChIInChI=1S/C22H20O5/c1-3-4-5-17-15-10-11-18-16(20(15)22(24)27-17)12-19(26-18)21(23)13-6-8-14(25-2)9-7-13/h6-12,17H,3-5H2,1-2H3
InChIKeyUUQWFGFYRHDEQN-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.07
Rot. Bonds6

About 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one

3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one (PubChem CID 178142994) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one.

Molecular Properties

Compound Name3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one
PubChem CID178142994
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one
SMILESCCCCC1OC(=O)c2c1ccc1oc(C(=O)c3ccc(OC)cc3)cc21
InChIInChI=1S/C22H20O5/c1-3-4-5-17-15-10-11-18-16(20(15)22(24)27-17)12-19(26-18)21(23)13-6-8-14(25-2)9-7-13/h6-12,17H,3-5H2,1-2H3
InChIKeyUUQWFGFYRHDEQN-UHFFFAOYSA-N
XLogP5.07
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
CID 170871861
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
1-butyl-5-hydroxy-3-oxo-1H-2-benzofuran-4-carbaldehyde
CID 178142993
(3S)-3-butyl-7-phenylmethoxy-3H-2-benzofuran-1-one
CID 71377904
(4-chloro-1-benzofuran-2-yl)-(4-ethylphenyl)methanone
CID 114321295
(4-methoxyphenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 54103779
1-butyl-3-oxo-N'-phenyl-1H-2-benzofuran-5-carbohydrazide
CID 164897112
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491

Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one?
The IUPAC name of 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one (CID 178142994) is 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one.
What is the SMILES notation for 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one?
The canonical SMILES for 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one is CCCCC1OC(=O)c2c1ccc1oc(C(=O)c3ccc(OC)cc3)cc21.
What is the InChIKey of 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one?
The InChIKey is UUQWFGFYRHDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-3-4-5-17-15-10-11-18-16(20(15)22(24)27-17)12-19(26-18)21(23)13-6-8-14(25-2)9-7-13/h6-12,17H,3-5H2,1-2H3.
What are the key properties of 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one?
3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one has a molecular weight of 364.40 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-(4-methoxybenzoyl)-3H-furo[3,4-e][1]benzofuran-1-one is sourced from PubChem (CID 178142994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).