ethyl 3-naphthalen-1-yloxybut-2-enoate

C16H16O3 — CID 66894506

IUPACethyl 3-naphthalen-1-yloxybut-2-enoate
SMILESCCOC(=O)C=C(C)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O3/c1-3-18-16(17)11-12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3
InChIKeyPSJMCIMXARICMS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.69
Rot. Bonds4

About ethyl 3-naphthalen-1-yloxybut-2-enoate

ethyl 3-naphthalen-1-yloxybut-2-enoate (PubChem CID 66894506) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is ethyl 3-naphthalen-1-yloxybut-2-enoate.

Molecular Properties

Compound Nameethyl 3-naphthalen-1-yloxybut-2-enoate
PubChem CID66894506
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Nameethyl 3-naphthalen-1-yloxybut-2-enoate
SMILESCCOC(=O)C=C(C)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O3/c1-3-18-16(17)11-12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3
InChIKeyPSJMCIMXARICMS-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(2,3-dimethylphenoxy)but-2-enoate
CID 66894790
ethyl (Z)-3-(2-chlorophenoxy)but-2-enoate
CID 66894720
ethyl (Z)-3-(2-fluoro-3-methylphenoxy)but-2-enoate
CID 66893493
ethyl 3-(2-fluoro-3-methylphenoxy)but-2-enoate
CID 66893494
ethyl 3-[(2-methyl-1,3-benzoxazol-4-yl)oxy]but-2-enoate
CID 66895112
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793
ethyl (Z)-3-[2-fluoro-3-(2-hydroxypropyl)phenoxy]but-2-enoate
CID 66894425
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
ethyl 3-(2,5-dichlorophenoxy)but-2-enoate
CID 66894690
ethyl (Z)-3-(2-fluoro-5-methylphenoxy)but-2-enoate
CID 66894663
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263

Frequently Asked Questions

What is the IUPAC name of ethyl 3-naphthalen-1-yloxybut-2-enoate?
The IUPAC name of ethyl 3-naphthalen-1-yloxybut-2-enoate (CID 66894506) is ethyl 3-naphthalen-1-yloxybut-2-enoate.
What is the SMILES notation for ethyl 3-naphthalen-1-yloxybut-2-enoate?
The canonical SMILES for ethyl 3-naphthalen-1-yloxybut-2-enoate is CCOC(=O)C=C(C)Oc1cccc2ccccc12.
What is the InChIKey of ethyl 3-naphthalen-1-yloxybut-2-enoate?
The InChIKey is PSJMCIMXARICMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-3-18-16(17)11-12(2)19-15-10-6-8-13-7-4-5-9-14(13)15/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-naphthalen-1-yloxybut-2-enoate?
ethyl 3-naphthalen-1-yloxybut-2-enoate has a molecular weight of 256.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-naphthalen-1-yloxybut-2-enoate is sourced from PubChem (CID 66894506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).