methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate

C16H21NO3 — CID 83944998

IUPACmethyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCO)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H21NO3/c1-11(2)12-4-5-15-14(8-12)13(9-16(19)20-3)10-17(15)6-7-18/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyFNPPKSPQODBART-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.47
Rot. Bonds5

About methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate

methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate (PubChem CID 83944998) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
PubChem CID83944998
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
SMILESCOC(=O)Cc1cn(CCO)c2ccc(C(C)C)cc12
InChIInChI=1S/C16H21NO3/c1-11(2)12-4-5-15-14(8-12)13(9-16(19)20-3)10-17(15)6-7-18/h4-5,8,10-11,18H,6-7,9H2,1-3H3
InChIKeyFNPPKSPQODBART-UHFFFAOYSA-N
XLogP2.47
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[5-bromo-1-(3-hydroxypropyl)indol-3-yl]acetate
CID 83946749
methyl 2-[1-(3-hydroxypropyl)-5-methoxyindol-3-yl]acetate
CID 83944534
methyl 2-[1-(2-aminoethyl)-5-methoxyindol-3-yl]acetate
CID 83948380
1-[1-(3-hydroxypropyl)-5-propan-2-ylindol-3-yl]ethanone
CID 83947629
methyl 2-(4-oxo-6-propan-2-ylquinolin-1-yl)acetate
CID 100802151
3-(3-ethyl-5-propan-2-ylindol-1-yl)propan-1-amine
CID 83948594
2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
CID 83945028
methyl 2-[6-(2-aminoethyl)-2,3-dihydro-[1,4]dioxino[2,3-f]indol-8-yl]acetate
CID 83948430
methyl 2-(1-benzyl-5-methoxyindol-3-yl)acetate
CID 10859841
methyl 2-[5-bromo-3-(3-hydroxypropyl)indol-1-yl]acetate
CID 83946726
2-hydroxy-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]acetamide
CID 94687136
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate (CID 83944998) is methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate is COC(=O)Cc1cn(CCO)c2ccc(C(C)C)cc12.
What is the InChIKey of methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate?
The InChIKey is FNPPKSPQODBART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)12-4-5-15-14(8-12)13(9-16(19)20-3)10-17(15)6-7-18/h4-5,8,10-11,18H,6-7,9H2,1-3H3.
What are the key properties of methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate?
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate has a molecular weight of 275.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate is sourced from PubChem (CID 83944998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).