2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid

C18H14O4 — CID 21268723

IUPAC2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid
SMILESCc1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1
InChIInChI=1S/C18H14O4/c1-11-2-4-13(5-3-11)17(21)15-9-12(10-16(19)20)8-14-6-7-22-18(14)15/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCWTSKVRICQSSED-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.60
Rot. Bonds4

About 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid

2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid (PubChem CID 21268723) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid.

Molecular Properties

Compound Name2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid
PubChem CID21268723
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid
SMILESCc1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1
InChIInChI=1S/C18H14O4/c1-11-2-4-13(5-3-11)17(21)15-9-12(10-16(19)20)8-14-6-7-22-18(14)15/h2-9H,10H2,1H3,(H,19,20)
InChIKeyCWTSKVRICQSSED-UHFFFAOYSA-N
XLogP3.60
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]butanoic acid
CID 54281301
1-aminopropan-2-yl 2-[7-(4-methylbenzenecarbothioyl)-1-benzofuran-5-yl]acetate
CID 88628609
2-[6-(4-methylbenzoyl)-1,3-benzodioxol-5-yl]acetic acid
CID 22679082
2-[7-(4-fluorobenzoyl)-6-hydroxy-1-benzofuran-5-yl]acetic acid
CID 21268790
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
ethyl 2-(7-hydroxy-1-benzofuran-5-yl)acetate
CID 58820000
2-[7-(4-methylsulfonylbenzoyl)-1-benzothiophen-5-yl]acetic acid
CID 21268535
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-(3-benzoyl-4-hydroxyphenyl)acetic acid
CID 91883998

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid?
The IUPAC name of 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid (CID 21268723) is 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid.
What is the SMILES notation for 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid?
The canonical SMILES for 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid is Cc1ccc(C(=O)c2cc(CC(=O)O)cc3ccoc23)cc1.
What is the InChIKey of 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid?
The InChIKey is CWTSKVRICQSSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-2-4-13(5-3-11)17(21)15-9-12(10-16(19)20)8-14-6-7-22-18(14)15/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid?
2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-methylbenzoyl)-1-benzofuran-5-yl]acetic acid is sourced from PubChem (CID 21268723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).