(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate

C16H16O4 — CID 175404510

IUPAC(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
SMILESCOc1ccc2cc(OC(=O)C(C)C3CO3)ccc2c1
InChIInChI=1S/C16H16O4/c1-10(15-9-19-15)16(17)20-14-6-4-11-7-13(18-2)5-3-12(11)8-14/h3-8,10,15H,9H2,1-2H3
InChIKeyDFWARCGVUZVICE-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.79
Rot. Bonds4

About (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate

(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate (PubChem CID 175404510) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
PubChem CID175404510
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate
SMILESCOc1ccc2cc(OC(=O)C(C)C3CO3)ccc2c1
InChIInChI=1S/C16H16O4/c1-10(15-9-19-15)16(17)20-14-6-4-11-7-13(18-2)5-3-12(11)8-14/h3-8,10,15H,9H2,1-2H3
InChIKeyDFWARCGVUZVICE-UHFFFAOYSA-N
XLogP2.79
TPSA48.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl 2-(4-methoxyphenoxy)propanoate
CID 18837899
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(7-methoxynaphthalen-2-yl) 2-phenoxypropanoate
CID 46820145
2-[1-(4-methoxyphenoxy)ethyl]oxirane
CID 20661059
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
[(2R)-oxan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 98108373
bis(4-methoxyphenyl) (2R,3R)-2,3-dihydroxybutanedioate
CID 89106310
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
2-(ethylamino)-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 138739949
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate?
The IUPAC name of (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate (CID 175404510) is (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate?
The canonical SMILES for (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate is COc1ccc2cc(OC(=O)C(C)C3CO3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate?
The InChIKey is DFWARCGVUZVICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-10(15-9-19-15)16(17)20-14-6-4-11-7-13(18-2)5-3-12(11)8-14/h3-8,10,15H,9H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate?
(6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate has a molecular weight of 272.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl) 2-(oxiran-2-yl)propanoate is sourced from PubChem (CID 175404510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).