formyl 2-naphthalen-1-ylacetate

C13H10O3 — CID 57137392

IUPACformyl 2-naphthalen-1-ylacetate
SMILESO=COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H10O3/c14-9-16-13(15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKeyRFBNFFQTHCPBIR-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.08
Rot. Bonds3

About formyl 2-naphthalen-1-ylacetate

formyl 2-naphthalen-1-ylacetate (PubChem CID 57137392) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is formyl 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Nameformyl 2-naphthalen-1-ylacetate
PubChem CID57137392
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Nameformyl 2-naphthalen-1-ylacetate
SMILESO=COC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C13H10O3/c14-9-16-13(15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2
InChIKeyRFBNFFQTHCPBIR-UHFFFAOYSA-N
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024
(2-methoxyphenyl) 2-naphthalen-1-ylacetate
CID 836864
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
3-naphthalen-1-yl-2-oxopropanoate
CID 18448912
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
[(3S,4S)-4-(2-naphthalen-1-ylacetyl)oxypyrrolidin-3-yl] 2-naphthalen-1-ylacetate
CID 54754546
2-naphthalen-1-ylacetamide;prop-2-enoic acid
CID 174797435
2-naphthalen-1-ylacetaldehyde
CID 12570786
(4-chlorophenyl)methyl 2-naphthalen-1-ylacetate
CID 165364396

Frequently Asked Questions

What is the IUPAC name of formyl 2-naphthalen-1-ylacetate?
The IUPAC name of formyl 2-naphthalen-1-ylacetate (CID 57137392) is formyl 2-naphthalen-1-ylacetate.
What is the SMILES notation for formyl 2-naphthalen-1-ylacetate?
The canonical SMILES for formyl 2-naphthalen-1-ylacetate is O=COC(=O)Cc1cccc2ccccc12.
What is the InChIKey of formyl 2-naphthalen-1-ylacetate?
The InChIKey is RFBNFFQTHCPBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-9-16-13(15)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2.
What are the key properties of formyl 2-naphthalen-1-ylacetate?
formyl 2-naphthalen-1-ylacetate has a molecular weight of 214.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 2-naphthalen-1-ylacetate is sourced from PubChem (CID 57137392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).