2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate

C15H18O5 — CID 118031006

IUPAC2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18O5/c1-11(2)15(17)20-9-8-19-14(16)10-12-4-6-13(18-3)7-5-12/h4-7H,1,8-10H2,2-3H3
InChIKeyTUSXSOCWZQHKCY-UHFFFAOYSA-N
MW278.30 g/mol
LogP1.90
Rot. Bonds7

About 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate

2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 118031006) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
PubChem CID118031006
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18O5/c1-11(2)15(17)20-9-8-19-14(16)10-12-4-6-13(18-3)7-5-12/h4-7H,1,8-10H2,2-3H3
InChIKeyTUSXSOCWZQHKCY-UHFFFAOYSA-N
XLogP1.90
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-naphthalen-2-ylacetyl)oxyethyl 2-methylprop-2-enoate
CID 101047899
3-[2-(4-methoxyphenyl)acetyl]oxypropyl 2-(4-methoxyphenyl)acetate
CID 55393887
(4-methoxyphenyl)methanol;2-O-[(4-methoxyphenyl)methyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 67777483
prop-1-en-2-yl 2-(4-methoxyphenyl)acetate
CID 89069215
3-methylbutyl 2-(4-methoxyphenyl)acetate
CID 15721358
2-[2-[4-[[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxycarbonylamino]phenyl]methyl]phenyl]acetyl]oxyethyl 2-methylprop-2-enoate
CID 165046610
[3-[4-(4-methoxyphenyl)phenoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 126585525
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
decyl 2-[4-(4-methoxyphenyl)phenyl]acetate
CID 121329524
2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate
CID 130191243
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715
bis[4-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl] benzene-1,4-dicarboxylate
CID 129197747

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate (CID 118031006) is 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is TUSXSOCWZQHKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-11(2)15(17)20-9-8-19-14(16)10-12-4-6-13(18-3)7-5-12/h4-7H,1,8-10H2,2-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate?
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 278.30 g/mol, XLogP of 1.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118031006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).