5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid

C19H17NO5 — CID 58857060

IUPAC5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(-c2cc3ccccc3n2C(C)=O)cc1C(=O)O
InChIInChI=1S/C19H17NO5/c1-11(21)20-15-7-5-4-6-12(15)8-16(20)13-9-14(19(22)23)18(25-3)10-17(13)24-2/h4-10H,1-3H3,(H,22,23)
InChIKeyWEZDPVGVDOFVMV-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.68
Rot. Bonds4

About 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid

5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid (PubChem CID 58857060) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
PubChem CID58857060
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(-c2cc3ccccc3n2C(C)=O)cc1C(=O)O
InChIInChI=1S/C19H17NO5/c1-11(21)20-15-7-5-4-6-12(15)8-16(20)13-9-14(19(22)23)18(25-3)10-17(13)24-2/h4-10H,1-3H3,(H,22,23)
InChIKeyWEZDPVGVDOFVMV-UHFFFAOYSA-N
XLogP3.68
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-acetamidophenyl)-2,4-dimethoxybenzoic acid
CID 71200965
3-methoxyphenanthrene-2-carboxylic acid
CID 44721157
4-[2-[2,4-dimethoxy-5-(1-methylindol-2-yl)phenyl]prop-2-enoyl]-N-hydroxybenzenesulfonamide
CID 21082465
1-[2-(4-nitrophenyl)indol-1-yl]ethanone
CID 134941186
1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
5-fluoro-2-methoxy-4-phenylbenzoic acid
CID 170991634
5-fluoro-2-methoxy-4-phenylmethoxybenzoic acid
CID 16754043
6-methoxyquinoline-7-carboxylic acid
CID 131314399
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
CID 101146176
CID 101146176
10-methyl-1-oxoacridine-2-carboxylic acid
CID 56609298

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid?
The IUPAC name of 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid (CID 58857060) is 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid?
The canonical SMILES for 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid is COc1cc(OC)c(-c2cc3ccccc3n2C(C)=O)cc1C(=O)O.
What is the InChIKey of 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid?
The InChIKey is WEZDPVGVDOFVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)20-15-7-5-4-6-12(15)8-16(20)13-9-14(19(22)23)18(25-3)10-17(13)24-2/h4-10H,1-3H3,(H,22,23).
What are the key properties of 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid?
5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid has a molecular weight of 339.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylindol-2-yl)-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 58857060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).