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Chemical ID: 6418776

Chemical ID:

6418776

Name [?]:

methyl 1-(2-ethoxyethyl)-5-hydroxy-2-methyl-indole-3-carboxylate

SMILES [?]:

CCOCCn1c(c(c2c1ccc(c2)O)C(=O)OC)C

InChi [?]:

InChI=1/C15H19NO4/c1-4-20-8-7-16-10(2)14(15(18)19-3)12-9-11(17)5-6-13(12)16/h5-6,9,17H,4,7-8H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,19,2,12,11,5,4,14,7,13,9,10,8,16,6,15,17,18,3/rA:20nCCOCCNCCCCCCCCOCOOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6s9;d10;s11;d12;d9s13;s13;s8;d16;s16;s18;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₉NO₄
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.35277
Area:	493.234
Solvation:	-3.97808
Coulombic:	-49.3176

Bond Count [?]

All:	21
Single:	16
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	277.316
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.4
LogP (Chemaxon):	2.15

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value