[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate

C20H20O5 — CID 126585525

IUPAC[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O5/c1-14(2)20(22)24-13-12-19(21)25-18-10-6-16(7-11-18)15-4-8-17(23-3)9-5-15/h4-11H,1,12-13H2,2-3H3
InChIKeyZYVCUUOEMGOFJL-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.78
Rot. Bonds7

About [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate

[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 126585525) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID126585525
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20O5/c1-14(2)20(22)24-13-12-19(21)25-18-10-6-16(7-11-18)15-4-8-17(23-3)9-5-15/h4-11H,1,12-13H2,2-3H3
InChIKeyZYVCUUOEMGOFJL-UHFFFAOYSA-N
XLogP3.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[3-[4-[3-(4-methylphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126738409
(4-phenylphenyl) 6-(2-methylprop-2-enoyloxy)hexanoate
CID 171768260
[3-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 118181749
[3-[4-(2-methylbutan-2-yl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 167317201
[3-oxo-3-[4-(2-phenylethenyl)phenoxy]propyl] 2-methylprop-2-enoate
CID 118976656
5-O-[4-(4-isocyanophenyl)phenyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 171768459
[4-[4-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]phenoxy]phenyl] 6-(2-methylprop-2-enoyloxy)hexanoate
CID 59739191
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
[2-[4-(4-methoxyphenyl)phenoxy]-3-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 155443167
[3-[2-fluoro-4-[4-(1-hydroxy-2-methylprop-2-enoxy)phenyl]phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 138567382
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate (CID 126585525) is [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)Oc1ccc(-c2ccc(OC)cc2)cc1.
What is the InChIKey of [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is ZYVCUUOEMGOFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-14(2)20(22)24-13-12-19(21)25-18-10-6-16(7-11-18)15-4-8-17(23-3)9-5-15/h4-11H,1,12-13H2,2-3H3.
What are the key properties of [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate?
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 126585525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).