3-(2,3-dimethylphenoxy)propyl prop-2-enoate

C14H18O3 — CID 151952529

IUPAC3-(2,3-dimethylphenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1cccc(C)c1C
InChIInChI=1S/C14H18O3/c1-4-14(15)17-10-6-9-16-13-8-5-7-11(2)12(13)3/h4-5,7-8H,1,6,9-10H2,2-3H3
InChIKeyTWYOXIUHKNUICE-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.80
Rot. Bonds6

About 3-(2,3-dimethylphenoxy)propyl prop-2-enoate

3-(2,3-dimethylphenoxy)propyl prop-2-enoate (PubChem CID 151952529) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-(2,3-dimethylphenoxy)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(2,3-dimethylphenoxy)propyl prop-2-enoate
PubChem CID151952529
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-(2,3-dimethylphenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1cccc(C)c1C
InChIInChI=1S/C14H18O3/c1-4-14(15)17-10-6-9-16-13-8-5-7-11(2)12(13)3/h4-5,7-8H,1,6,9-10H2,2-3H3
InChIKeyTWYOXIUHKNUICE-UHFFFAOYSA-N
XLogP2.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
4-(2,3-dimethylphenoxy)butyl acetate
CID 69169507
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
butyl prop-2-enoate;1,2-xylene
CID 70409011
2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
methyl 4-(2,3-dimethylphenoxy)butanoate
CID 43378041
4-(4-amino-2-methylphenoxy)butyl prop-2-enoate;aniline;benzene-1,4-diamine
CID 142183864
2-methylbenzene-1,3-dicarboxylic acid;4-(3-prop-2-enoyloxypropoxy)benzoic acid
CID 174567210
[3-chloro-3-(2,3-dimethylphenyl)butyl] prop-2-enoate
CID 141489267
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylphenoxy)propyl prop-2-enoate?
The IUPAC name of 3-(2,3-dimethylphenoxy)propyl prop-2-enoate (CID 151952529) is 3-(2,3-dimethylphenoxy)propyl prop-2-enoate.
What is the SMILES notation for 3-(2,3-dimethylphenoxy)propyl prop-2-enoate?
The canonical SMILES for 3-(2,3-dimethylphenoxy)propyl prop-2-enoate is C=CC(=O)OCCCOc1cccc(C)c1C.
What is the InChIKey of 3-(2,3-dimethylphenoxy)propyl prop-2-enoate?
The InChIKey is TWYOXIUHKNUICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-4-14(15)17-10-6-9-16-13-8-5-7-11(2)12(13)3/h4-5,7-8H,1,6,9-10H2,2-3H3.
What are the key properties of 3-(2,3-dimethylphenoxy)propyl prop-2-enoate?
3-(2,3-dimethylphenoxy)propyl prop-2-enoate has a molecular weight of 234.29 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylphenoxy)propyl prop-2-enoate is sourced from PubChem (CID 151952529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).