2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid

C21H23NO5 — CID 3452357

IUPAC2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1cc(-c2[nH]c3c(C)cc(OC)cc3c2CC(=O)O)ccc1OC
InChIInChI=1S/C21H23NO5/c1-5-27-18-9-13(6-7-17(18)26-4)21-16(11-19(23)24)15-10-14(25-3)8-12(2)20(15)22-21/h6-10,22H,5,11H2,1-4H3,(H,23,24)
InChIKeyUHXMEFHQLZCCTL-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.19
Rot. Bonds7

About 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid

2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid (PubChem CID 3452357) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
PubChem CID3452357
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
SMILESCCOc1cc(-c2[nH]c3c(C)cc(OC)cc3c2CC(=O)O)ccc1OC
InChIInChI=1S/C21H23NO5/c1-5-27-18-9-13(6-7-17(18)26-4)21-16(11-19(23)24)15-10-14(25-3)8-12(2)20(15)22-21/h6-10,22H,5,11H2,1-4H3,(H,23,24)
InChIKeyUHXMEFHQLZCCTL-UHFFFAOYSA-N
XLogP4.19
TPSA80.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4-diethoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3928874
2-[2-(3-ethoxy-4-methoxyphenyl)-6,7-dimethyl-1H-indol-3-yl]acetic acid
CID 3919080
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-[2-(3,4-dichlorophenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid
CID 3909439
2-[5-methoxy-7-methyl-2-(3-methylphenyl)-1H-indol-3-yl]acetic acid
CID 3914330
2-[6-chloro-2-(4-ethoxy-3-methoxyphenyl)-7-methyl-1H-indol-3-yl]acetic acid
CID 3375280
2-[5-methoxy-7-methyl-2-[4-(trifluoromethyl)phenyl]-1H-indol-3-yl]acetic acid
CID 5137244
2-[2-(3-ethoxy-4-methoxyphenyl)-5-fluoro-1H-indol-3-yl]acetic acid
CID 3572668
2-[2-(3-ethoxy-4-methoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid
CID 4545229
2-[2-(3,4-diethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid
CID 3921291
2-[2-(3,4-diethoxyphenyl)-7-propan-2-yl-1H-indol-3-yl]acetic acid
CID 3258006
2-[2-(3-ethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]acetic acid
CID 4306468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid (CID 3452357) is 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid is CCOc1cc(-c2[nH]c3c(C)cc(OC)cc3c2CC(=O)O)ccc1OC.
What is the InChIKey of 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
The InChIKey is UHXMEFHQLZCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-5-27-18-9-13(6-7-17(18)26-4)21-16(11-19(23)24)15-10-14(25-3)8-12(2)20(15)22-21/h6-10,22H,5,11H2,1-4H3,(H,23,24).
What are the key properties of 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid?
2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxy-4-methoxyphenyl)-5-methoxy-7-methyl-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 3452357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).