2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate

C15H20O4 — CID 164966256

IUPAC2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(CCC)c1O
InChIInChI=1S/C15H20O4/c1-4-6-12-7-5-8-13(14(12)16)18-9-10-19-15(17)11(2)3/h5,7-8,16H,2,4,6,9-10H2,1,3H3
InChIKeyCNBFDJINLQEERO-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.84
Rot. Bonds7

About 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate

2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate (PubChem CID 164966256) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
PubChem CID164966256
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOc1cccc(CCC)c1O
InChIInChI=1S/C15H20O4/c1-4-6-12-7-5-8-13(14(12)16)18-9-10-19-15(17)11(2)3/h5,7-8,16H,2,4,6,9-10H2,1,3H3
InChIKeyCNBFDJINLQEERO-UHFFFAOYSA-N
XLogP2.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenoxy)ethyl 2-methylprop-2-enoate
CID 151897080
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
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
3-(2,3-diethoxy-4-propylphenyl)propyl 2-methylprop-2-enoate
CID 151563185
ethane;2-methoxy-6-propylphenol
CID 142869062
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
2-[2-(hydroxymethyl)-5-(4-propylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193047
2-[2-[3-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]phenoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118333861

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate (CID 164966256) is 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOc1cccc(CCC)c1O.
What is the InChIKey of 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is CNBFDJINLQEERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-6-12-7-5-8-13(14(12)16)18-9-10-19-15(17)11(2)3/h5,7-8,16H,2,4,6,9-10H2,1,3H3.
What are the key properties of 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate?
2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-propylphenoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 164966256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).