ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate

C15H19NO4 — CID 70006863

IUPACethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyGEWZDOGIWZASMY-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.60
Rot. Bonds4

About ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate

ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate (PubChem CID 70006863) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
PubChem CID70006863
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate
SMILESCCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21
InChIInChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3
InChIKeyGEWZDOGIWZASMY-UHFFFAOYSA-N
XLogP3.60
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[3-(1-Benzylpiperidin-4-yl)propoxy]-1-methylindol-2-yl]methanol
CID 76318340
2-(5-methoxy-1H-indol-1-yl)acetic acid
CID 17571571
9-acetyl-6-methoxy-4,9-dihydro-3H-beta-carbolin-1-yl acetate
CID 757425
(6-Methoxy-1-methylindol-2-yl)methanol
CID 42628258
1,2-Dimethyl-1H-indol-5-yl acetate
CID 595258
1-[[4-[2-(Diethylamino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 9803527
1-[[4-[2-(Dimethylamino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 9823203
1-[[4-[2-[Butyl(methyl)amino]ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 9825409
1-[[4-[2-(Dipropylamino)ethoxy]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 9826090
2-[4-[[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenoxy]ethyl-trimethylazanium
CID 10187770
Pyrano(3,4-b)indol-6-ol, 1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-(dimethylamino)ethyl)-, hydrochloride
CID 3044861
(Z)-4-(5-ethyl-[1,3]dioxolo[4,5-f]indol-6-yl)-2-hydroxy-4-oxo-but-2-enoic acid
CID 5743056

Frequently Asked Questions

What is the IUPAC name of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The IUPAC name of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate (CID 70006863) is ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate.
What is the SMILES notation for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The canonical SMILES for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate is CCCn1c(C)c(OC(=O)OCC)c2cc(O)ccc21.
What is the InChIKey of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
The InChIKey is GEWZDOGIWZASMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-8-16-10(3)14(20-15(18)19-5-2)12-9-11(17)6-7-13(12)16/h6-7,9,17H,4-5,8H2,1-3H3.
What are the key properties of ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate?
ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate has a molecular weight of 277.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5-hydroxy-2-methyl-1-propylindol-3-yl) carbonate is sourced from PubChem (CID 70006863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).