(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

C17H17NO4 — CID 57342093

IUPAC(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
SMILESCOc1ccc([C@@]2(C(=O)O)c3ccccc3N[C@@H]2OC)cc1
InChIInChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(16(19)20)13-5-3-4-6-14(13)18-15(17)22-2/h3-10,15,18H,1-2H3,(H,19,20)/t15-,17-/m1/s1
InChIKeyONRNIIUHIVOZHT-NVXWUHKLSA-N
MW299.33 g/mol
LogP2.46
Rot. Bonds4

About (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid

(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid (PubChem CID 57342093) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
PubChem CID57342093
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid
SMILESCOc1ccc([C@@]2(C(=O)O)c3ccccc3N[C@@H]2OC)cc1
InChIInChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(16(19)20)13-5-3-4-6-14(13)18-15(17)22-2/h3-10,15,18H,1-2H3,(H,19,20)/t15-,17-/m1/s1
InChIKeyONRNIIUHIVOZHT-NVXWUHKLSA-N
XLogP2.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-methyl-1,2-dihydroindol-3-ol
CID 86024263
3-(4-methoxyphenyl)-2-methylidene-1H-indol-3-ol
CID 144593400
anisole;ethane;propan-2-one
CID 164986667
4-hydroxy-3-methoxy-4-phenyl-2,3-dihydro-1H-quinoline-2-carbaldehyde
CID 146306262
2-(4-methoxyphenyl)-2-phenacyl-1H-indol-3-one
CID 154722470
(2R,4R)-4-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-4-methylspiro[1,2-dihydroquinoline-3,1'-cyclopropane]
CID 101235769
1-(4-aminophenyl)-3-(4-methoxyphenyl)-2,3-dihydroindene-1-carboxylic acid
CID 174272459
[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] benzoate
CID 21349038
3-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-ol;oxalic acid
CID 19802625
(3R)-3-(4-methoxyphenyl)-3-phenyl-2H-isoindol-1-one
CID 102494819
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
[4-[9-(4-benzoyloxyphenyl)fluoren-9-yl]phenyl] 4-[9-(4-acetylphenyl)fluoren-9-yl]benzoate;[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenyl] acetate
CID 91347944

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid (CID 57342093) is (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid is COc1ccc([C@@]2(C(=O)O)c3ccccc3N[C@@H]2OC)cc1.
What is the InChIKey of (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid?
The InChIKey is ONRNIIUHIVOZHT-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-12-9-7-11(8-10-12)17(16(19)20)13-5-3-4-6-14(13)18-15(17)22-2/h3-10,15,18H,1-2H3,(H,19,20)/t15-,17-/m1/s1.
What are the key properties of (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid?
(2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-methoxy-3-(4-methoxyphenyl)-1,2-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 57342093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).