methyl 2-(3-phenylindazol-1-yl)acetate

C16H14N2O2 — CID 3243873

IUPACmethyl 2-(3-phenylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyRBYOCUDWQCQSAM-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.88
Rot. Bonds3

About methyl 2-(3-phenylindazol-1-yl)acetate

methyl 2-(3-phenylindazol-1-yl)acetate (PubChem CID 3243873) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-(3-phenylindazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-phenylindazol-1-yl)acetate
PubChem CID3243873
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Namemethyl 2-(3-phenylindazol-1-yl)acetate
SMILESCOC(=O)Cn1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyRBYOCUDWQCQSAM-UHFFFAOYSA-N
XLogP2.88
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-phenylindazol-1-yl)acetate?
The IUPAC name of methyl 2-(3-phenylindazol-1-yl)acetate (CID 3243873) is methyl 2-(3-phenylindazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-phenylindazol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-phenylindazol-1-yl)acetate is COC(=O)Cn1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of methyl 2-(3-phenylindazol-1-yl)acetate?
The InChIKey is RBYOCUDWQCQSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-20-15(19)11-18-14-10-6-5-9-13(14)16(17-18)12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of methyl 2-(3-phenylindazol-1-yl)acetate?
methyl 2-(3-phenylindazol-1-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-phenylindazol-1-yl)acetate is sourced from PubChem (CID 3243873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).