methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate

C18H14O5 — CID 170871861

IUPACmethyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C(=O)c3ccc(OC)cc3)cc2c1
InChIInChI=1S/C18H14O5/c1-21-14-6-3-11(4-7-14)17(19)16-10-13-9-12(18(20)22-2)5-8-15(13)23-16/h3-10H,1-2H3
InChIKeyHABOELWQOIHKCP-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.46
Rot. Bonds4

About methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate

methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate (PubChem CID 170871861) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
PubChem CID170871861
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Namemethyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1ccc2oc(C(=O)c3ccc(OC)cc3)cc2c1
InChIInChI=1S/C18H14O5/c1-21-14-6-3-11(4-7-14)17(19)16-10-13-9-12(18(20)22-2)5-8-15(13)23-16/h3-10H,1-2H3
InChIKeyHABOELWQOIHKCP-UHFFFAOYSA-N
XLogP3.46
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797594
(4-methoxyphenyl)-(5-nitro-1-benzofuran-2-yl)methanone
CID 2728228
(3,4-dichlorophenyl)-(5-methoxy-1-benzofuran-2-yl)methanone
CID 2797612
(4-methoxy-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 105084721
methyl 2-methylsulfanyl-1-benzofuran-5-carboxylate
CID 168792495
CID 176618230
CID 176618230
methyl 4-[[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]methyl]benzoate
CID 108697333
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
5-methoxy-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 51432206
methyl 3-(5-methyl-1-benzofuran-2-carbonyl)azulene-1-carboxylate
CID 10882473
(2-fluoro-4-methoxyphenyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725880
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207230

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate (CID 170871861) is methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate is COC(=O)c1ccc2oc(C(=O)c3ccc(OC)cc3)cc2c1.
What is the InChIKey of methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate?
The InChIKey is HABOELWQOIHKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-21-14-6-3-11(4-7-14)17(19)16-10-13-9-12(18(20)22-2)5-8-15(13)23-16/h3-10H,1-2H3.
What are the key properties of methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate?
methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxybenzoyl)-1-benzofuran-5-carboxylate is sourced from PubChem (CID 170871861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).