(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate

C16H18BrNO3 — CID 71910130

IUPAC(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate
SMILESCOC1CCCC1OC(=O)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H18BrNO3/c1-20-13-6-3-7-14(13)21-15(19)8-10-9-18-12-5-2-4-11(17)16(10)12/h2,4-5,9,13-14,18H,3,6-8H2,1H3
InChIKeyUSAHPMXTHDZXFJ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.58
Rot. Bonds4

About (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate

(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate (PubChem CID 71910130) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate
PubChem CID71910130
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate
SMILESCOC1CCCC1OC(=O)Cc1c[nH]c2cccc(Br)c12
InChIInChI=1S/C16H18BrNO3/c1-20-13-6-3-7-14(13)21-15(19)8-10-9-18-12-5-2-4-11(17)16(10)12/h2,4-5,9,13-14,18H,3,6-8H2,1H3
InChIKeyUSAHPMXTHDZXFJ-UHFFFAOYSA-N
XLogP3.58
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2R)-2-methoxycyclopentyl] 2-(5-methoxy-1H-indol-3-yl)acetate
CID 96523711
[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate
CID 95622535
[(1R,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate
CID 95622536
3-(4-bromo-1H-indol-3-yl)propanoic acid
CID 28806342
CID 89114350
CID 89114350
2-(4-bromo-1H-indol-3-yl)acetaldehyde
CID 117194859
[(1R,2R)-2-methoxycyclopentyl] 2-(2-methoxyphenoxy)acetate
CID 96523723
N-[2-(4-bromo-1H-indol-3-yl)ethyl]-2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 167809158
methyl 2-amino-5-[(4-bromo-1H-indol-3-yl)methyl]thiophene-3-carboxylate
CID 132507672
(2E)-3-(4-bromo-1H-indol-3-yl)-N-[2-[2-[[(2E)-3-(4-bromo-1H-indol-3-yl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 24992505
2-(4-bromo-1H-indol-3-yl)acetonitrile
CID 11020839
2-bromo-1-(4-bromo-1H-indol-3-yl)ethanone
CID 115351482

Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate?
The IUPAC name of (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate (CID 71910130) is (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate.
What is the SMILES notation for (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate?
The canonical SMILES for (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate is COC1CCCC1OC(=O)Cc1c[nH]c2cccc(Br)c12.
What is the InChIKey of (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate?
The InChIKey is USAHPMXTHDZXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-20-13-6-3-7-14(13)21-15(19)8-10-9-18-12-5-2-4-11(17)16(10)12/h2,4-5,9,13-14,18H,3,6-8H2,1H3.
What are the key properties of (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate?
(2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate has a molecular weight of 352.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopentyl) 2-(4-bromo-1H-indol-3-yl)acetate is sourced from PubChem (CID 71910130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).