2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate

C14H16O4 — CID 129205712

IUPAC2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1C=O
InChIInChI=1S/C14H16O4/c1-10(2)14(16)18-8-7-17-13-6-4-5-11(3)12(13)9-15/h4-6,9H,1,7-8H2,2-3H3
InChIKeyXTZVRMRHYIGKFQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate

2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 129205712) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
PubChem CID129205712
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(C)c1C=O
InChIInChI=1S/C14H16O4/c1-10(2)14(16)18-8-7-17-13-6-4-5-11(3)12(13)9-15/h4-6,9H,1,7-8H2,2-3H3
InChIKeyXTZVRMRHYIGKFQ-UHFFFAOYSA-N
XLogP2.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
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-ethoxy-3-[2-(2-methylprop-2-enoyloxy)ethoxy]benzenesulfonic acid
CID 154217964
2-methyl-6-(3-methylbut-2-enoxy)benzaldehyde
CID 101239649
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861
2-[3-(2-formyl-3-methylphenoxy)-2,2-bis[(2-formyl-3-methylphenoxy)methyl]propoxy]-6-methylbenzaldehyde
CID 102134444
acetonitrile;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-benzoyl-2,5-dimethylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-(2-formyl-3-methylphenoxy)ethoxy]ethyl 2-methylprop-2-enoate;(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone;2-(2-hydroxyethoxy)ethyl 2-methylprop-2-enoate;2-hydroxy-6-methylbenzaldehyde;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;bis(2-[2-(4-methylphenyl)sulfonylethoxy]ethyl 2-methylprop-2-enoate)
CID 159081831
2-[4-[2-[3,5-dimethyl-4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]propan-2-yl]-2,6-dimethylphenoxy]ethyl 2-methylprop-2-enoate
CID 19799411
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-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate (CID 129205712) is 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1cccc(C)c1C=O.
What is the InChIKey of 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is XTZVRMRHYIGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-10(2)14(16)18-8-7-17-13-6-4-5-11(3)12(13)9-15/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate?
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 248.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 129205712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).