methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate

C18H17NO2 — CID 70109234

IUPACmethyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17NO2/c1-21-18(20)11-14-8-6-13(7-9-14)10-16-12-15-4-2-3-5-17(15)19-16/h2-9,12,19H,10-11H2,1H3
InChIKeyOLEJJISJPJWZAD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.47
Rot. Bonds4

About methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate

methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate (PubChem CID 70109234) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
PubChem CID70109234
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namemethyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(Cc2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C18H17NO2/c1-21-18(20)11-14-8-6-13(7-9-14)10-16-12-15-4-2-3-5-17(15)19-16/h2-9,12,19H,10-11H2,1H3
InChIKeyOLEJJISJPJWZAD-UHFFFAOYSA-N
XLogP3.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352
methyl 2-(3-amino-6-benzyl-2-oxo-1H-pyridin-4-yl)acetate
CID 57229167
dimethyl 2-(1H-indol-2-ylmethyl)propanedioate
CID 132519173
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
CID 172801156
CID 172801156
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
methyl 2-(1H-indol-2-ylsulfanyl)acetate
CID 10727704
1H-indol-2-ylmethyl 2-aminoacetate
CID 67228624
methyl 2-(1H-indol-5-yl)acetate
CID 43831379
1H-indol-2-ylmethylcarbamic acid
CID 68691362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate?
The IUPAC name of methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate (CID 70109234) is methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate is COC(=O)Cc1ccc(Cc2cc3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate?
The InChIKey is OLEJJISJPJWZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-21-18(20)11-14-8-6-13(7-9-14)10-16-12-15-4-2-3-5-17(15)19-16/h2-9,12,19H,10-11H2,1H3.
What are the key properties of methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate?
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate has a molecular weight of 279.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate is sourced from PubChem (CID 70109234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).