(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate

C18H16O4 — CID 91028345

IUPAC(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc2cc(COC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C18H16O4/c1-4-17(19)22-16-8-7-14-9-13(5-6-15(14)10-16)11-21-18(20)12(2)3/h4-10H,1-2,11H2,3H3
InChIKeyHTFWVURZOXBMIJ-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.55
Rot. Bonds5

About (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate

(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate (PubChem CID 91028345) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
PubChem CID91028345
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc2cc(COC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C18H16O4/c1-4-17(19)22-16-8-7-14-9-13(5-6-15(14)10-16)11-21-18(20)12(2)3/h4-10H,1-2,11H2,3H3
InChIKeyHTFWVURZOXBMIJ-UHFFFAOYSA-N
XLogP3.55
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxymethyl)phenyl]phenyl]methyl 2-methylprop-2-enoate;[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate;[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methyl prop-2-enoate;[4-[4-(prop-2-enoyloxymethyl)phenyl]phenyl]methyl prop-2-enoate
CID 161314193
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[6-(prop-2-enoyloxymethyl)naphthalen-2-yl] 2,3-difluoro-4-(2-methylprop-2-enoyloxymethyl)benzoate
CID 58471503
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
[4-[2-[6-[2-(4-prop-2-enoyloxyphenyl)ethyl]naphthalen-2-yl]ethyl]phenyl] 2-methylprop-2-enoate
CID 89309007
[4-(N-naphthalen-2-yl-4-prop-2-enoyloxyanilino)phenyl]methyl 2-methylprop-2-enoate
CID 59832740
[4-[difluoro-[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl 2-methylprop-2-enoate;[4-[difluoro-[6-(prop-2-enoyloxymethyl)naphthalen-2-yl]methoxy]phenyl]methyl prop-2-enoate;[6-[difluoro-[4-(prop-2-enoyloxymethyl)phenoxy]methyl]naphthalen-2-yl]methyl 2-methylprop-2-enoate;ethane
CID 158138612
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl] (E)-2-methyl-3-[4-(3-methyl-2-oxobut-3-enyl)phenyl]prop-2-enoate
CID 89210906
[6-[4-(prop-2-enoyloxymethyl)phenyl]naphthalen-2-yl] 4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 58471467
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 6-(2-methylprop-2-enoyloxymethyl)naphthalene-2-carboxylate
CID 58471446

Frequently Asked Questions

What is the IUPAC name of (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate (CID 91028345) is (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate is C=CC(=O)Oc1ccc2cc(COC(=O)C(=C)C)ccc2c1.
What is the InChIKey of (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate?
The InChIKey is HTFWVURZOXBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-4-17(19)22-16-8-7-14-9-13(5-6-15(14)10-16)11-21-18(20)12(2)3/h4-10H,1-2,11H2,3H3.
What are the key properties of (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate?
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate has a molecular weight of 296.32 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 91028345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).