2-naphthalen-1-yloxyethyl 3-oxopropanoate

C15H14O4 — CID 23049691

IUPAC2-naphthalen-1-yloxyethyl 3-oxopropanoate
SMILESO=CCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C15H14O4/c16-9-8-15(17)19-11-10-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,9H,8,10-11H2
InChIKeyLWKBJMDJTYAPBZ-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.35
Rot. Bonds6

About 2-naphthalen-1-yloxyethyl 3-oxopropanoate

2-naphthalen-1-yloxyethyl 3-oxopropanoate (PubChem CID 23049691) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-naphthalen-1-yloxyethyl 3-oxopropanoate.

Molecular Properties

Compound Name2-naphthalen-1-yloxyethyl 3-oxopropanoate
PubChem CID23049691
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-naphthalen-1-yloxyethyl 3-oxopropanoate
SMILESO=CCC(=O)OCCOc1cccc2ccccc12
InChIInChI=1S/C15H14O4/c16-9-8-15(17)19-11-10-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,9H,8,10-11H2
InChIKeyLWKBJMDJTYAPBZ-UHFFFAOYSA-N
XLogP2.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-naphthalen-1-yloxyethyl) carbonate
CID 57035339
2-naphthalen-1-yloxyethyl acetate
CID 23049663
2-naphthalen-1-yloxyethyl octadecanoate
CID 154105287
6-naphthalen-1-yloxyhex-1-en-3-one
CID 134187093
(2S)-2-amino-4-naphthalen-1-yloxybutanamide
CID 174561854
2-amino-4-naphthalen-1-yloxybutanamide
CID 63040100
(naphthalen-1-yloxymethylamino)methanol
CID 54336494
2-[5-(2-prop-2-enoxycarbonyloxyethoxy)naphthalen-2-yl]oxyethyl prop-2-enyl carbonate
CID 70460816
2-methyl-5-naphthalen-1-yloxypentanamide
CID 142457720
1-(3-chloropropoxy)naphthalene
CID 12685615
2-naphthalen-1-yloxyethyl 8,8-difluorobicyclo[5.1.0]octane-4-carboxylate
CID 167795034
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxyethyl 3-oxopropanoate?
The IUPAC name of 2-naphthalen-1-yloxyethyl 3-oxopropanoate (CID 23049691) is 2-naphthalen-1-yloxyethyl 3-oxopropanoate.
What is the SMILES notation for 2-naphthalen-1-yloxyethyl 3-oxopropanoate?
The canonical SMILES for 2-naphthalen-1-yloxyethyl 3-oxopropanoate is O=CCC(=O)OCCOc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yloxyethyl 3-oxopropanoate?
The InChIKey is LWKBJMDJTYAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c16-9-8-15(17)19-11-10-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,9H,8,10-11H2.
What are the key properties of 2-naphthalen-1-yloxyethyl 3-oxopropanoate?
2-naphthalen-1-yloxyethyl 3-oxopropanoate has a molecular weight of 258.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxyethyl 3-oxopropanoate is sourced from PubChem (CID 23049691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).