[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate

C27H22O6 — CID 123192484

IUPAC[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C=Cc2ccc3cc(OC(=O)C(=C)C)ccc3c2)cc1
InChIInChI=1S/C27H22O6/c1-17(2)26(29)32-23-12-10-22(11-13-23)31-25(28)14-6-19-5-7-21-16-24(9-8-20(21)15-19)33-27(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyAKGQCKFSMMKQAF-UHFFFAOYSA-N
MW442.47 g/mol
LogP5.42
Rot. Bonds7

About [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate

[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate (PubChem CID 123192484) has the molecular formula C27H22O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
PubChem CID123192484
Molecular FormulaC27H22O6
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC Name[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(OC(=O)C=Cc2ccc3cc(OC(=O)C(=C)C)ccc3c2)cc1
InChIInChI=1S/C27H22O6/c1-17(2)26(29)32-23-12-10-22(11-13-23)31-25(28)14-6-19-5-7-21-16-24(9-8-20(21)15-19)33-27(30)18(3)4/h5-16H,1,3H2,2,4H3
InChIKeyAKGQCKFSMMKQAF-UHFFFAOYSA-N
XLogP5.42
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
[4-[(E)-3-[4-(2-methylprop-2-enoyloxy)phenoxy]-3-oxoprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 118657767
[4-[(E)-3-(4-aminophenyl)prop-2-enoyl]oxyphenyl] 2-methylprop-2-enoate
CID 58870921
[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
[4-[(Z)-3-oxo-3-phenylprop-1-enyl]phenyl] 2-methylprop-2-enoate
CID 70479424
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[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
[4-[4-[(E)-3-[4-(2-methylprop-2-enoyloxymethyl)phenoxy]-3-oxoprop-1-enyl]phenyl]phenyl]methyl 2-methylprop-2-enoate
CID 68642334
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935

Frequently Asked Questions

What is the IUPAC name of [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate?
The IUPAC name of [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate (CID 123192484) is [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(OC(=O)C=Cc2ccc3cc(OC(=O)C(=C)C)ccc3c2)cc1.
What is the InChIKey of [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate?
The InChIKey is AKGQCKFSMMKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O6/c1-17(2)26(29)32-23-12-10-22(11-13-23)31-25(28)14-6-19-5-7-21-16-24(9-8-20(21)15-19)33-27(30)18(3)4/h5-16H,1,3H2,2,4H3.
What are the key properties of [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate?
[4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate has a molecular weight of 442.47 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]prop-2-enoyloxy]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 123192484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).