methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate

C19H16O4 — CID 91663330

IUPACmethyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
SMILESCOC(=O)C(C)c1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H16O4/c1-12(19(21)22-2)16-14-10-6-7-11-15(14)23-18(16)17(20)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyHWGHKMYRZRJRIU-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.94
Rot. Bonds4

About methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate

methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate (PubChem CID 91663330) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
PubChem CID91663330
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Namemethyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate
SMILESCOC(=O)C(C)c1c(C(=O)c2ccccc2)oc2ccccc12
InChIInChI=1S/C19H16O4/c1-12(19(21)22-2)16-14-10-6-7-11-15(14)23-18(16)17(20)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKeyHWGHKMYRZRJRIU-UHFFFAOYSA-N
XLogP3.94
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-(2-benzoyl-5-methyl-1-benzofuran-3-yl)propanoate
CID 122484777
ethyl (2S)-2-(2-benzoyl-5-chloro-1-benzofuran-3-yl)propanoate
CID 122484797
methyl 2-(2-benzoyl-5-methoxy-1-benzofuran-3-yl)butanoate
CID 134238319
methyl 3-methyl-2-(2-methyl-1-benzofuran-3-yl)butanoate
CID 116987431
phenyl-[3-(3,4,5-trimethoxyphenyl)-1-benzofuran-2-yl]methanone
CID 57336948
2-benzoyl-1-benzofuran-3-sulfonamide
CID 70614621
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
[3-[4-(dimethylamino)phenyl]-1-benzofuran-2-yl]-phenylmethanone
CID 57336949
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
[3-[cyclohexen-1-yl(phenyl)methyl]-1-benzofuran-2-yl]-phenylmethanone
CID 132577276
(3-amino-1-benzofuran-2-yl)-(4-methylphenyl)methanone
CID 619566
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate?
The IUPAC name of methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate (CID 91663330) is methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate.
What is the SMILES notation for methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate?
The canonical SMILES for methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate is COC(=O)C(C)c1c(C(=O)c2ccccc2)oc2ccccc12.
What is the InChIKey of methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate?
The InChIKey is HWGHKMYRZRJRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-12(19(21)22-2)16-14-10-6-7-11-15(14)23-18(16)17(20)13-8-4-3-5-9-13/h3-12H,1-2H3.
What are the key properties of methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate?
methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate has a molecular weight of 308.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-benzoyl-1-benzofuran-3-yl)propanoate is sourced from PubChem (CID 91663330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).