methyl 1-acetyloxynaphthalene-2-carboxylate

C14H12O4 — CID 131865664

IUPACmethyl 1-acetyloxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1OC(C)=O
InChIInChI=1S/C14H12O4/c1-9(15)18-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17-2/h3-8H,1-2H3
InChIKeyLXWNJDNSZLFPII-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.55
Rot. Bonds2

About methyl 1-acetyloxynaphthalene-2-carboxylate

methyl 1-acetyloxynaphthalene-2-carboxylate (PubChem CID 131865664) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 1-acetyloxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyloxynaphthalene-2-carboxylate
PubChem CID131865664
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Namemethyl 1-acetyloxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1OC(C)=O
InChIInChI=1S/C14H12O4/c1-9(15)18-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17-2/h3-8H,1-2H3
InChIKeyLXWNJDNSZLFPII-UHFFFAOYSA-N
XLogP2.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Alpha-Naphthoflavone
CID 11790
5,6-Dimethylxanthenone-4-Acetic Acid
CID 123964
Mollugin
CID 124219
1-Hydroxy-2-naphthoic acid
CID 6844
Ethyl 3-oxo-3H-naphtho(2,1-b)pyran-2-carboxylate
CID 69774
Phenyl 1-hydroxy-2-naphthoate
CID 67236
3-Methoxy-2-naphthoic acid
CID 70161
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913
Methyl benzoylsalicylate
CID 285225
6-Methoxy-2-Naphthoic Acid
CID 349181
Methyl 3-hydroxy-2-naphthoate
CID 70163
2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester
CID 70358

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyloxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1-acetyloxynaphthalene-2-carboxylate (CID 131865664) is methyl 1-acetyloxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-acetyloxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-acetyloxynaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1OC(C)=O.
What is the InChIKey of methyl 1-acetyloxynaphthalene-2-carboxylate?
The InChIKey is LXWNJDNSZLFPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9(15)18-13-11-6-4-3-5-10(11)7-8-12(13)14(16)17-2/h3-8H,1-2H3.
What are the key properties of methyl 1-acetyloxynaphthalene-2-carboxylate?
methyl 1-acetyloxynaphthalene-2-carboxylate has a molecular weight of 244.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyloxynaphthalene-2-carboxylate is sourced from PubChem (CID 131865664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).