propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate

C13H16O4 — CID 57110503

IUPACpropyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate
SMILESCCCOC(=O)C(C)=COc1ccccc1O
InChIInChI=1S/C13H16O4/c1-3-8-16-13(15)10(2)9-17-12-7-5-4-6-11(12)14/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMPBVKKCJOWPHBY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.63
Rot. Bonds5

About propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate

propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate (PubChem CID 57110503) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate
PubChem CID57110503
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Namepropyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate
SMILESCCCOC(=O)C(C)=COc1ccccc1O
InChIInChI=1S/C13H16O4/c1-3-8-16-13(15)10(2)9-17-12-7-5-4-6-11(12)14/h4-7,9,14H,3,8H2,1-2H3
InChIKeyMPBVKKCJOWPHBY-UHFFFAOYSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-hydroxyphenoxy)methylidene]pentanoate
CID 91003303
propyl (E)-3-ethoxy-2-methylprop-2-enoate
CID 88810340
3-[4-[3-(2-methyl-3-naphthalen-1-yloxyprop-2-enoyl)oxypropoxy]phenoxy]propyl 2-methyl-3-naphthalen-1-yloxyprop-2-enoate
CID 68949382
3-[2-[2-[3-[2-methyl-3-(2-phenylphenoxy)prop-2-enoyl]oxypropoxy]phenyl]phenoxy]propyl 2-methyl-3-(2-phenylphenoxy)prop-2-enoate
CID 68950295
propyl (E)-2-methyl-3-(4-nonylphenoxy)prop-2-enoate
CID 140589726
propyl 3-[2-(benzenesulfonyl)phenoxy]-2-hydroxyprop-2-enoate
CID 175463724
(E)-4-[2-(2-hydroxyphenoxy)-2-oxoethoxy]-3-methyl-4-oxobut-2-enoic acid
CID 141075910
3-[4-[3,5-dimethyl-4-[3-[2-methyl-3-(2-phenylphenoxy)prop-2-enoyl]oxypropoxy]phenyl]-2,6-dimethylphenoxy]propyl 2-methyl-3-(2-phenylphenoxy)prop-2-enoate
CID 68949160
propyl 2-ethoxy-3-(2-hydroxyphenyl)prop-2-enoate
CID 175118534
propyl (Z)-2-acetamido-3-phenylprop-2-enoate
CID 12635852
propyl 4-bromo-2-methylbut-2-enoate
CID 173164924
propyl (E)-3-(aziridin-1-yl)-2-methylprop-2-enoate
CID 142728117

Frequently Asked Questions

What is the IUPAC name of propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate?
The IUPAC name of propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate (CID 57110503) is propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate.
What is the SMILES notation for propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate?
The canonical SMILES for propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate is CCCOC(=O)C(C)=COc1ccccc1O.
What is the InChIKey of propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate?
The InChIKey is MPBVKKCJOWPHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-3-8-16-13(15)10(2)9-17-12-7-5-4-6-11(12)14/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate?
propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate has a molecular weight of 236.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2-hydroxyphenoxy)-2-methylprop-2-enoate is sourced from PubChem (CID 57110503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).