argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid

C33H28Ar2N2O4 — CID 159925564

IUPACargon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.O=C(O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.[Ar].[Ar]
InChIInChI=1S/C17H15NO2.C16H13NO2.2Ar/c1-20-17(19)10-14-11-18-16-8-7-13(9-15(14)16)12-5-3-2-4-6-12;18-16(19)9-13-10-17-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11;;/h2-9,11,18H,10H2,1H3;1-8,10,17H,9H2,(H,18,19);;
InChIKeyNYYSXPGGGPZNJW-UHFFFAOYSA-N
MW596.49 g/mol
LogP7.01
Rot. Bonds6

About argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid

argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid (PubChem CID 159925564) has the molecular formula C33H28Ar2N2O4 and a molecular weight of 596.49 g/mol. Its IUPAC name is argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Nameargon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid
PubChem CID159925564
Molecular FormulaC33H28Ar2N2O4
Molecular Weight596.49 g/mol
Exact Mass596.13
IUPAC Nameargon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid
SMILESCOC(=O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.O=C(O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.[Ar].[Ar]
InChIInChI=1S/C17H15NO2.C16H13NO2.2Ar/c1-20-17(19)10-14-11-18-16-8-7-13(9-15(14)16)12-5-3-2-4-6-12;18-16(19)9-13-10-17-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11;;/h2-9,11,18H,10H2,1H3;1-8,10,17H,9H2,(H,18,19);;
InChIKeyNYYSXPGGGPZNJW-UHFFFAOYSA-N
XLogP7.01
TPSA95.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.49
LogP ≤ 57.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Acetic Acid
CID 802
Methyl indole-3-acetate
CID 74706
2-(2-(1,1-Dimethyl-2-propen-1-yl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione
CID 3013166
Ethyl 1H-indole-3-acetate
CID 13067
Indole-3-acetate
CID 801
Carmoxirole
CID 57364
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl-
CID 452720
5-Fluoroindole-3-acetic acid
CID 96750
2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-5-(1H-indol-3-yl)-
CID 452719
Semicochliodinol A
CID 474302
asterriquinone CT4
CID 10074924
Asterriquinone CT3
CID 474301

Frequently Asked Questions

What is the IUPAC name of argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid?
The IUPAC name of argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid (CID 159925564) is argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid is COC(=O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.O=C(O)Cc1c[nH]c2ccc(-c3ccccc3)cc12.[Ar].[Ar].
What is the InChIKey of argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid?
The InChIKey is NYYSXPGGGPZNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2.C16H13NO2.2Ar/c1-20-17(19)10-14-11-18-16-8-7-13(9-15(14)16)12-5-3-2-4-6-12;18-16(19)9-13-10-17-15-7-6-12(8-14(13)15)11-4-2-1-3-5-11;;/h2-9,11,18H,10H2,1H3;1-8,10,17H,9H2,(H,18,19);;.
What are the key properties of argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid?
argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid has a molecular weight of 596.49 g/mol, XLogP of 7.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for argon;methyl 2-(5-phenyl-1H-indol-3-yl)acetate;2-(5-phenyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 159925564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).