propanoyl naphthalene-2-carboxylate

C14H12O3 — CID 118192395

IUPACpropanoyl naphthalene-2-carboxylate
SMILESCCC(=O)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O3/c1-2-13(15)17-14(16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyYRVVMWBMAKERJW-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.93
Rot. Bonds2

About propanoyl naphthalene-2-carboxylate

propanoyl naphthalene-2-carboxylate (PubChem CID 118192395) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is propanoyl naphthalene-2-carboxylate.

Molecular Properties

Compound Namepropanoyl naphthalene-2-carboxylate
PubChem CID118192395
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Namepropanoyl naphthalene-2-carboxylate
SMILESCCC(=O)OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C14H12O3/c1-2-13(15)17-14(16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKeyYRVVMWBMAKERJW-UHFFFAOYSA-N
XLogP2.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl naphthalene-2-carboxylate
CID 143895262
(2-benzoyloxy-1,2-dinaphthalen-2-ylethenyl) benzoate
CID 134263039
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
2-propylpentyl naphthalene-2-carboxylate
CID 146351385
1-O-methyl 4-O-propanoyl benzene-1,4-dicarboxylate
CID 21099286
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698131
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920
3-O-propanoyl 1-O-propyl benzene-1,3-dicarboxylate
CID 175115088

Frequently Asked Questions

What is the IUPAC name of propanoyl naphthalene-2-carboxylate?
The IUPAC name of propanoyl naphthalene-2-carboxylate (CID 118192395) is propanoyl naphthalene-2-carboxylate.
What is the SMILES notation for propanoyl naphthalene-2-carboxylate?
The canonical SMILES for propanoyl naphthalene-2-carboxylate is CCC(=O)OC(=O)c1ccc2ccccc2c1.
What is the InChIKey of propanoyl naphthalene-2-carboxylate?
The InChIKey is YRVVMWBMAKERJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-2-13(15)17-14(16)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3.
What are the key properties of propanoyl naphthalene-2-carboxylate?
propanoyl naphthalene-2-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl naphthalene-2-carboxylate is sourced from PubChem (CID 118192395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).