methyl 2-naphthalen-2-ylacetate

C13H12O2 — CID 5314037

IUPACmethyl 2-naphthalen-2-ylacetate
SMILESCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyBGYOCQOJCMPTCY-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.56
Rot. Bonds2

About methyl 2-naphthalen-2-ylacetate

methyl 2-naphthalen-2-ylacetate (PubChem CID 5314037) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-2-ylacetate
PubChem CID5314037
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Namemethyl 2-naphthalen-2-ylacetate
SMILESCOC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3
InChIKeyBGYOCQOJCMPTCY-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-2-ylacetate?
The IUPAC name of methyl 2-naphthalen-2-ylacetate (CID 5314037) is methyl 2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-naphthalen-2-ylacetate is COC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-naphthalen-2-ylacetate?
The InChIKey is BGYOCQOJCMPTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-15-13(14)9-10-6-7-11-4-2-3-5-12(11)8-10/h2-8H,9H2,1H3.
What are the key properties of methyl 2-naphthalen-2-ylacetate?
methyl 2-naphthalen-2-ylacetate has a molecular weight of 200.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-2-ylacetate is sourced from PubChem (CID 5314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).