2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate

C25H20O5 — CID 123781400

IUPAC2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3cc(OC=COC(=O)C(=C)C)ccc3c2)cc1
InChIInChI=1S/C25H20O5/c1-4-24(26)30-22-10-7-18(8-11-22)19-5-6-21-16-23(12-9-20(21)15-19)28-13-14-29-25(27)17(2)3/h4-16H,1-2H2,3H3
InChIKeyILWPNTIBMGICDB-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.57
Rot. Bonds7

About 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate

2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate (PubChem CID 123781400) has the molecular formula C25H20O5 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
PubChem CID123781400
Molecular FormulaC25H20O5
Molecular Weight400.43 g/mol
Exact Mass400.13
IUPAC Name2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
SMILESC=CC(=O)Oc1ccc(-c2ccc3cc(OC=COC(=O)C(=C)C)ccc3c2)cc1
InChIInChI=1S/C25H20O5/c1-4-24(26)30-22-10-7-18(8-11-22)19-5-6-21-16-23(12-9-20(21)15-19)28-13-14-29-25(27)17(2)3/h4-16H,1-2H2,3H3
InChIKeyILWPNTIBMGICDB-UHFFFAOYSA-N
XLogP5.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123993816
2-[4-(4-prop-2-enoyloxyphenyl)-3-(trifluoromethyl)phenoxy]ethenyl 2-methylprop-2-enoate
CID 123994431
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
2-[4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123969143
2-[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenoxy]ethenyl prop-2-enoate
CID 123925942
2-[2-fluoro-4-[4-[2-fluoro-4-(2-prop-2-enoyloxyethenoxy)phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123353199
2-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123687311
2-[4-[4-[3-fluoro-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123553742
2-[4-[3-(difluoromethyl)-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123619500
2-[4-[2-methyl-4-[2-(2-methylprop-2-enoyloxy)ethenoxy]phenyl]phenoxy]ethenyl 2-methylprop-2-enoate
CID 123402652
[4-[4-[4-(2-methylprop-2-enoyloxy)phenyl]-3-prop-2-enoyloxyphenyl]phenyl] 2-methylprop-2-enoate
CID 118975493

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate?
The IUPAC name of 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate (CID 123781400) is 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate is C=CC(=O)Oc1ccc(-c2ccc3cc(OC=COC(=O)C(=C)C)ccc3c2)cc1.
What is the InChIKey of 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate?
The InChIKey is ILWPNTIBMGICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O5/c1-4-24(26)30-22-10-7-18(8-11-22)19-5-6-21-16-23(12-9-20(21)15-19)28-13-14-29-25(27)17(2)3/h4-16H,1-2H2,3H3.
What are the key properties of 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate?
2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate has a molecular weight of 400.43 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate is sourced from PubChem (CID 123781400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).