2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate

C14H18O3 — CID 151897080

IUPAC2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1C
InChIInChI=1S/C14H18O3/c1-10(2)14(15)17-9-8-16-13-7-5-6-11(3)12(13)4/h5-7H,1,8-9H2,2-4H3
InChIKeySRYPBHNGUVXPRO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.80
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate

2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 151897080) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
PubChem CID151897080
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1C
InChIInChI=1S/C14H18O3/c1-10(2)14(15)17-9-8-16-13-7-5-6-11(3)12(13)4/h5-7H,1,8-9H2,2-4H3
InChIKeySRYPBHNGUVXPRO-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
CID 164966256
3-[2-(2-methylprop-2-enoyloxy)ethoxy]pyridine-2-carboxylic acid
CID 140907193
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
3-(2,3-dimethylphenoxy)propyl prop-2-enoate
CID 151952529
2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyethyl 2-methylprop-2-enoate
CID 21251863
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
2-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid
CID 154217964
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
CID 90308739
2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 21252575

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate (CID 151897080) is 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1cccc(C)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is SRYPBHNGUVXPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-10(2)14(15)17-9-8-16-13-7-5-6-11(3)12(13)4/h5-7H,1,8-9H2,2-4H3.
What are the key properties of 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate?
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 151897080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).