1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate

C18H18O3 — CID 19828999

IUPAC1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-13(2)18(19)21-14(3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,1H2,2-3H3
InChIKeyABLQVVICDBGYFO-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.20
Rot. Bonds5

About 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate

1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 19828999) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
PubChem CID19828999
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18O3/c1-13(2)18(19)21-14(3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,1H2,2-3H3
InChIKeyABLQVVICDBGYFO-UHFFFAOYSA-N
XLogP4.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[4-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]methyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22602054
1-(4-carbonochloridoylphenoxy)ethyl 2-methylprop-2-enoate
CID 19025994
[3-[3-[3-(2-methylprop-2-enoyloxy)-3-(4-phenylphenoxy)propoxy]phenoxy]-1-(4-phenylphenoxy)propyl] 2-methylprop-2-enoate
CID 141224428
1-phenoxyethyl 2-(2-methylprop-2-enoxymethyl)prop-2-enoate
CID 176718300
[4-[1-(2-methylprop-2-enoyloxy)ethoxy]naphthalen-1-yl] 2-methylprop-2-enoate
CID 139636295
propan-2-yl (2S)-2-(4-phenylphenoxy)butanoate
CID 7672618
[3-[4-[4-[3-(2-methylprop-2-enoyloxy)-3-(3-phenylphenoxy)propoxy]phenyl]phenoxy]-1-(3-phenylphenoxy)propyl] 2-methylprop-2-enoate
CID 141224407
1-[2-[2-[2-[1-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethyl 2-methylprop-2-enoate
CID 22011551
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[hydroxy-(4-methylphenoxy)methyl] 2-methylprop-2-enoate
CID 135269778
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
[3-[3-methyl-2-[3-(2-methylprop-2-enoyloxy)-3-(4-phenylphenoxy)propoxy]phenoxy]-1-(4-phenylphenoxy)propyl] 2-methylprop-2-enoate
CID 141224434

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate (CID 19828999) is 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is ABLQVVICDBGYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(2)18(19)21-14(3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14H,1H2,2-3H3.
What are the key properties of 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate?
1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 282.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 19828999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).