methyl 2-naphthalen-1-ylacetate

C13H12O2 — CID 17891

IUPACmethyl 2-naphthalen-1-ylacetate
SMILESCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyYGGXZTQSGNFKPJ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.56
Rot. Bonds2

About methyl 2-naphthalen-1-ylacetate

methyl 2-naphthalen-1-ylacetate (PubChem CID 17891) has the molecular formula C13H12O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-ylacetate
PubChem CID17891
Molecular FormulaC13H12O2
Molecular Weight200.24 g/mol
Exact Mass200.08
IUPAC Namemethyl 2-naphthalen-1-ylacetate
SMILESCOC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKeyYGGXZTQSGNFKPJ-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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Related Compounds

1-Naphthaleneacetic Acid
CID 6862
alpha-Naphthaleneacetic acid, ethyl ester
CID 62428
Dimethyl-2,6-naphthalenedicarboxylate
CID 61225
2-Naphthaleneacetic acid
CID 11393
Potassium 1-naphthaleneacetate
CID 23700091
Vedaprofen
CID 72158
Bromoenol Lactone
CID 5940264
Methyl Dehydroabietate
CID 14697
3-Biphenylylacetic acid
CID 32153
Sodium 1-naphthaleneacetate
CID 23694671
Methyl 2-naphthoate
CID 137605
2-(3,4-Dimethylphenyl)acetic acid
CID 296013

Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-ylacetate?
The IUPAC name of methyl 2-naphthalen-1-ylacetate (CID 17891) is methyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for methyl 2-naphthalen-1-ylacetate?
The canonical SMILES for methyl 2-naphthalen-1-ylacetate is COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of methyl 2-naphthalen-1-ylacetate?
The InChIKey is YGGXZTQSGNFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2/c1-15-13(14)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3.
What are the key properties of methyl 2-naphthalen-1-ylacetate?
methyl 2-naphthalen-1-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-1-ylacetate is sourced from PubChem (CID 17891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).