[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate

C25H24O4 — CID 137445339

IUPAC[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)COc1cc(OC)ccc1-c1ccc2cc(OC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C25H24O4/c1-16(2)15-28-24-14-21(27-5)10-11-23(24)20-7-6-19-13-22(9-8-18(19)12-20)29-25(26)17(3)4/h6-14H,1,3,15H2,2,4-5H3
InChIKeyZNHPQEKLPJNFPC-UHFFFAOYSA-N
MW388.46 g/mol
LogP5.95
Rot. Bonds7

About [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate

[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate (PubChem CID 137445339) has the molecular formula C25H24O4 and a molecular weight of 388.46 g/mol. Its IUPAC name is [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
PubChem CID137445339
Molecular FormulaC25H24O4
Molecular Weight388.46 g/mol
Exact Mass388.17
IUPAC Name[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate
SMILESC=C(C)COc1cc(OC)ccc1-c1ccc2cc(OC(=O)C(=C)C)ccc2c1
InChIInChI=1S/C25H24O4/c1-16(2)15-28-24-14-21(27-5)10-11-23(24)20-7-6-19-13-22(9-8-18(19)12-20)29-25(26)17(3)4/h6-14H,1,3,15H2,2,4-5H3
InChIKeyZNHPQEKLPJNFPC-UHFFFAOYSA-N
XLogP5.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
[4-[6-[2-[3,4-di(prop-2-enoyloxy)phenoxy]ethoxy]naphthalen-2-yl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 122424873
2-[4-[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-[2-(2-methylprop-2-enoyloxy)ethoxy]phenoxy]ethyl 2-methylprop-2-enoate
CID 163298238
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
[3-fluoro-4-[4-(2-methylprop-2-enoxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 146620506
[4-[3-fluoro-4-[4-(2-methylprop-2-enoxy)-3-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 170075417
[4-[(E)-2-[2,5-bis(2-methylprop-2-enoxy)-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethenyl]phenyl] 2-methylprop-2-enoate
CID 118907437
[2-(4-methoxyphenyl)-5-(4-prop-1-en-2-ylphenyl)phenyl] 2-methylprop-2-enoate
CID 134244888
[4-[3-fluoro-4-[3-fluoro-4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-3-methoxyphenyl] 2-methylprop-2-enoate
CID 168727554
[4-(4-methylphenyl)-3-prop-2-enoyloxyphenyl] 2-methylprop-2-enoate
CID 141316940
[4-[4-(4-methoxyphenyl)-2,5-bis(2-methylprop-2-enoyloxy)phenyl]-3-propan-2-ylphenyl] 2-methylprop-2-enoate
CID 144772136
[4-[2-[4-[4-[2,4-bis(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]ethenyl]-3-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 123832277

Frequently Asked Questions

What is the IUPAC name of [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate?
The IUPAC name of [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate (CID 137445339) is [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate?
The canonical SMILES for [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate is C=C(C)COc1cc(OC)ccc1-c1ccc2cc(OC(=O)C(=C)C)ccc2c1.
What is the InChIKey of [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate?
The InChIKey is ZNHPQEKLPJNFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O4/c1-16(2)15-28-24-14-21(27-5)10-11-23(24)20-7-6-19-13-22(9-8-18(19)12-20)29-25(26)17(3)4/h6-14H,1,3,15H2,2,4-5H3.
What are the key properties of [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate?
[6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate has a molecular weight of 388.46 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]naphthalen-2-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 137445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).