2-naphthalen-1-ylacetate

C12H9O2- — CID 4583824

IUPAC2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)/p-1
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-M
MW185.20 g/mol
LogP1.13
Rot. Bonds2

About 2-naphthalen-1-ylacetate

2-naphthalen-1-ylacetate (PubChem CID 4583824) has the molecular formula C12H9O2- and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name2-naphthalen-1-ylacetate
PubChem CID4583824
Molecular FormulaC12H9O2-
Molecular Weight185.20 g/mol
Exact Mass185.06
IUPAC Name2-naphthalen-1-ylacetate
SMILESO=C([O-])Cc1cccc2ccccc12
InChIInChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)/p-1
InChIKeyPRPINYUDVPFIRX-UHFFFAOYSA-M
XLogP1.13
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylacetate?
The IUPAC name of 2-naphthalen-1-ylacetate (CID 4583824) is 2-naphthalen-1-ylacetate.
What is the SMILES notation for 2-naphthalen-1-ylacetate?
The canonical SMILES for 2-naphthalen-1-ylacetate is O=C([O-])Cc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylacetate?
The InChIKey is PRPINYUDVPFIRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)/p-1.
What are the key properties of 2-naphthalen-1-ylacetate?
2-naphthalen-1-ylacetate has a molecular weight of 185.20 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylacetate is sourced from PubChem (CID 4583824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).