methyl 2-(1-benzylindol-2-yl)acetate

C18H17NO2 — CID 165356079

IUPACmethyl 2-(1-benzylindol-2-yl)acetate
SMILESCOC(=O)Cc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c1-21-18(20)12-16-11-15-9-5-6-10-17(15)19(16)13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeyJPCNBMSAEDTLGR-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.41
Rot. Bonds4

About methyl 2-(1-benzylindol-2-yl)acetate

methyl 2-(1-benzylindol-2-yl)acetate (PubChem CID 165356079) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-(1-benzylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-benzylindol-2-yl)acetate
PubChem CID165356079
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namemethyl 2-(1-benzylindol-2-yl)acetate
SMILESCOC(=O)Cc1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C18H17NO2/c1-21-18(20)12-16-11-15-9-5-6-10-17(15)19(16)13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeyJPCNBMSAEDTLGR-UHFFFAOYSA-N
XLogP3.41
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-benzyl-2-(1-benzylindole-2-carbonyl)indol-3-yl]acetate
CID 102384000
ethane;methyl 3-(1-ethylindol-2-yl)propanoate
CID 91236893
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
1-[(1-benzylindol-2-yl)methyl]-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 50807953
9-[1-[(4-fluorophenyl)methyl]indol-2-yl]-N-hydroxy-8-oxononanamide
CID 58248668
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
3-(1-benzylindol-2-yl)propan-1-amine
CID 115107392
CID 172801156
CID 172801156
1-(1-ethylindol-2-yl)propan-2-one
CID 115107033
N-[2-(1-benzyl-6-methoxyindol-2-yl)ethyl]acetamide
CID 10892626
(1-benzylindol-2-yl)-triethylsilane
CID 90095967
2-(1-ethylindol-2-yl)acetamide
CID 67469018

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzylindol-2-yl)acetate?
The IUPAC name of methyl 2-(1-benzylindol-2-yl)acetate (CID 165356079) is methyl 2-(1-benzylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-(1-benzylindol-2-yl)acetate?
The canonical SMILES for methyl 2-(1-benzylindol-2-yl)acetate is COC(=O)Cc1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of methyl 2-(1-benzylindol-2-yl)acetate?
The InChIKey is JPCNBMSAEDTLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-18(20)12-16-11-15-9-5-6-10-17(15)19(16)13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3.
What are the key properties of methyl 2-(1-benzylindol-2-yl)acetate?
methyl 2-(1-benzylindol-2-yl)acetate has a molecular weight of 279.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzylindol-2-yl)acetate is sourced from PubChem (CID 165356079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).