2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate

C98H116O18S2 — CID 167659188

IUPAC2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1.C=C(C)C(=O)OCCSc1cccc(C)c1.C=C(C)C(=O)OCCc1cccc(C)c1.C=C(C)C(=O)OCc1cccc(C)c1.C=CC(=O)OCCOc1cccc(C)c1.C=CC(=O)OCCSc1cccc(C)c1.C=CC(=O)OCCc1cccc(C)c1.C=CC(=O)OCc1cccc(C)c1
InChIInChI=1S/C13H16O3.C13H16O2S.C13H16O2.C12H14O3.C12H14O2S.2C12H14O2.C11H12O2/c1-10(2)13(14)16-8-7-15-12-6-4-5-11(3)9-12;1-10(2)13(14)15-7-8-16-12-6-4-5-11(3)9-12;1-10(2)13(14)15-8-7-12-6-4-5-11(3)9-12;1-3-12(13)15-8-7-14-11-6-4-5-10(2)9-11;1-3-12(13)14-7-8-15-11-6-4-5-10(2)9-11;1-9(2)12(13)14-8-11-6-4-5-10(3)7-11;1-3-12(13)14-8-7-11-6-4-5-10(2)9-11;1-3-11(12)13-8-10-6-4-5-9(2)7-10/h2*4-6,9H,1,7-8H2,2-3H3;4-6,9H,1,7-8H2,2-3H3;2*3-6,9H,1,7-8H2,2H3;4-7H,1,8H2,2-3H3;3-6,9H,1,7-8H2,2H3;3-7H,1,8H2,2H3
InChIKeyRSBBOTAKJXNCSB-UHFFFAOYSA-N
MW1646.12 g/mol
LogP20.38
Rot. Bonds34

About 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate

2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate (PubChem CID 167659188) has the molecular formula C98H116O18S2 and a molecular weight of 1646.12 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate
PubChem CID167659188
Molecular FormulaC98H116O18S2
Molecular Weight1646.12 g/mol
Exact Mass1644.76
IUPAC Name2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1.C=C(C)C(=O)OCCSc1cccc(C)c1.C=C(C)C(=O)OCCc1cccc(C)c1.C=C(C)C(=O)OCc1cccc(C)c1.C=CC(=O)OCCOc1cccc(C)c1.C=CC(=O)OCCSc1cccc(C)c1.C=CC(=O)OCCc1cccc(C)c1.C=CC(=O)OCc1cccc(C)c1
InChIInChI=1S/C13H16O3.C13H16O2S.C13H16O2.C12H14O3.C12H14O2S.2C12H14O2.C11H12O2/c1-10(2)13(14)16-8-7-15-12-6-4-5-11(3)9-12;1-10(2)13(14)15-7-8-16-12-6-4-5-11(3)9-12;1-10(2)13(14)15-8-7-12-6-4-5-11(3)9-12;1-3-12(13)15-8-7-14-11-6-4-5-10(2)9-11;1-3-12(13)14-7-8-15-11-6-4-5-10(2)9-11;1-9(2)12(13)14-8-11-6-4-5-10(3)7-11;1-3-12(13)14-8-7-11-6-4-5-10(2)9-11;1-3-11(12)13-8-10-6-4-5-9(2)7-10/h2*4-6,9H,1,7-8H2,2-3H3;4-6,9H,1,7-8H2,2-3H3;2*3-6,9H,1,7-8H2,2H3;4-7H,1,8H2,2-3H3;3-6,9H,1,7-8H2,2H3;3-7H,1,8H2,2H3
InChIKeyRSBBOTAKJXNCSB-UHFFFAOYSA-N
XLogP20.38
TPSA228.86 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds34
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001646.12
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate with MolForge

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Related Compounds

2-[3-(prop-2-enoyloxymethyl)phenoxy]ethyl prop-2-enoate
CID 118333634
2-naphthalen-2-yloxyethyl 2-methylprop-2-enoate;2-naphthalen-2-yloxyethyl prop-2-enoate
CID 139533290
2-[3-(3-methylphenyl)phenoxy]ethyl prop-2-enoate
CID 70425725
4-(3-methylphenyl)butyl 2-methylprop-2-enoate
CID 174548240
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-(3-hydroxyphenoxy)ethyl prop-2-enoate
CID 57126182
furan-2-ylmethyl 2-methylprop-2-enoate;2-phenoxyethyl prop-2-enoate
CID 67127109
[3-[3-(2-methylprop-2-enoyloxymethyl)phenoxy]phenyl]methyl 2-methylprop-2-enoate
CID 177260916
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
[4-[3-[3,5-bis(2-prop-2-enoyloxyethoxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 118907751

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate (CID 167659188) is 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate is C=C(C)C(=O)OCCOc1cccc(C)c1.C=C(C)C(=O)OCCSc1cccc(C)c1.C=C(C)C(=O)OCCc1cccc(C)c1.C=C(C)C(=O)OCc1cccc(C)c1.C=CC(=O)OCCOc1cccc(C)c1.C=CC(=O)OCCSc1cccc(C)c1.C=CC(=O)OCCc1cccc(C)c1.C=CC(=O)OCc1cccc(C)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate?
The InChIKey is RSBBOTAKJXNCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3.C13H16O2S.C13H16O2.C12H14O3.C12H14O2S.2C12H14O2.C11H12O2/c1-10(2)13(14)16-8-7-15-12-6-4-5-11(3)9-12;1-10(2)13(14)15-7-8-16-12-6-4-5-11(3)9-12;1-10(2)13(14)15-8-7-12-6-4-5-11(3)9-12;1-3-12(13)15-8-7-14-11-6-4-5-10(2)9-11;1-3-12(13)14-7-8-15-11-6-4-5-10(2)9-11;1-9(2)12(13)14-8-11-6-4-5-10(3)7-11;1-3-12(13)14-8-7-11-6-4-5-10(2)9-11;1-3-11(12)13-8-10-6-4-5-9(2)7-10/h2*4-6,9H,1,7-8H2,2-3H3;4-6,9H,1,7-8H2,2-3H3;2*3-6,9H,1,7-8H2,2H3;4-7H,1,8H2,2-3H3;3-6,9H,1,7-8H2,2H3;3-7H,1,8H2,2H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate?
2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate has a molecular weight of 1646.12 g/mol, XLogP of 20.38, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-methylprop-2-enoate;2-(3-methylphenoxy)ethyl prop-2-enoate;2-(3-methylphenyl)ethyl 2-methylprop-2-enoate;2-(3-methylphenyl)ethyl prop-2-enoate;(3-methylphenyl)methyl 2-methylprop-2-enoate;(3-methylphenyl)methyl prop-2-enoate;2-(3-methylphenyl)sulfanylethyl 2-methylprop-2-enoate;2-(3-methylphenyl)sulfanylethyl prop-2-enoate is sourced from PubChem (CID 167659188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).