[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate

C18H18O3 — CID 123278935

IUPAC[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)COc1ccc2cc(OC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C18H18O3/c1-12(2)11-20-16-7-5-15-10-17(8-6-14(15)9-16)21-18(19)13(3)4/h5-10H,1,3,11H2,2,4H3
InChIKeyZXGGJINOMQGLCR-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.28
Rot. Bonds5

About [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate

[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 123278935) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID123278935
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)COc1ccc2cc(OC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C18H18O3/c1-12(2)11-20-16-7-5-15-10-17(8-6-14(15)9-16)21-18(19)13(3)4/h5-10H,1,3,11H2,2,4H3
InChIKeyZXGGJINOMQGLCR-UHFFFAOYSA-N
XLogP4.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 137445339
[3-fluoro-4-[4-(2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 146620506
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
CID 123192484
(7-pentylphenanthren-2-yl) 2-methylprop-2-enoate
CID 88945223
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
(4-ethoxyphenyl) 2-methylprop-2-enoate
CID 54374861
[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
CID 14523499
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202

Frequently Asked Questions

What is the IUPAC name of [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate (CID 123278935) is [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)COc1ccc2cc(OC(=O)C(=C)C)ccc2c1.
What is the InChIKey of [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is ZXGGJINOMQGLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-12(2)11-20-16-7-5-15-10-17(8-6-14(15)9-16)21-18(19)13(3)4/h5-10H,1,3,11H2,2,4H3.
What are the key properties of [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate?
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 123278935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).