(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate

C21H18O3 — CID 142524657

IUPAC(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H18O3/c1-15(2)21(22)23-14-16-6-5-9-19(12-16)24-20-11-10-17-7-3-4-8-18(17)13-20/h3-13H,1,14H2,2H3
InChIKeyWDYXQLNLPLMFEI-UHFFFAOYSA-N
MW318.37 g/mol
LogP5.25
Rot. Bonds5

About (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate

(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate (PubChem CID 142524657) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
PubChem CID142524657
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCc1cccc(Oc2ccc3ccccc3c2)c1
InChIInChI=1S/C21H18O3/c1-15(2)21(22)23-14-16-6-5-9-19(12-16)24-20-11-10-17-7-3-4-8-18(17)13-20/h3-13H,1,14H2,2H3
InChIKeyWDYXQLNLPLMFEI-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.37
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
(3-phenoxyphenyl)methyl (E)-2-methylbut-2-enoate
CID 91740752
[4-[4-(2-methylprop-2-enoyloxymethyl)-N-naphthalen-2-ylanilino]phenyl]methyl 2-methylprop-2-enoate
CID 59832690
[3-(2-methylprop-2-enoyloxymethyl)phenyl]boronic acid
CID 162702390
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[3-[2-(2-methylprop-2-enoyloxy)-3-phenoxypropoxy]phenyl]methyl 2-methylprop-2-enoate
CID 118333770
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599

Frequently Asked Questions

What is the IUPAC name of (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate (CID 142524657) is (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCc1cccc(Oc2ccc3ccccc3c2)c1.
What is the InChIKey of (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate?
The InChIKey is WDYXQLNLPLMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-15(2)21(22)23-14-16-6-5-9-19(12-16)24-20-11-10-17-7-3-4-8-18(17)13-20/h3-13H,1,14H2,2H3.
What are the key properties of (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate?
(3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate has a molecular weight of 318.37 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-naphthalen-2-yloxyphenyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 142524657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).