propyl 2-(3-hydroxyphenyl)prop-2-enoate

C12H14O3 — CID 174372133

IUPACpropyl 2-(3-hydroxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCCC)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-3-7-15-12(14)9(2)10-5-4-6-11(13)8-10/h4-6,8,13H,2-3,7H2,1H3
InChIKeyMYSABYHXBAVHNJ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.36
Rot. Bonds4

About propyl 2-(3-hydroxyphenyl)prop-2-enoate

propyl 2-(3-hydroxyphenyl)prop-2-enoate (PubChem CID 174372133) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is propyl 2-(3-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-(3-hydroxyphenyl)prop-2-enoate
PubChem CID174372133
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Namepropyl 2-(3-hydroxyphenyl)prop-2-enoate
SMILESC=C(C(=O)OCCC)c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-3-7-15-12(14)9(2)10-5-4-6-11(13)8-10/h4-6,8,13H,2-3,7H2,1H3
InChIKeyMYSABYHXBAVHNJ-UHFFFAOYSA-N
XLogP2.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 174446510
3-(2-methylprop-2-enoyloxy)propyl 3-hydroxybenzoate
CID 118331656
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 3-hydroxybenzoate
CID 118331658
ethyl 2-(3-phenylmethoxyphenyl)prop-2-enoate
CID 69253409
3-O-(2-methylprop-2-enyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730802
acetic acid;3-prop-1-en-2-ylphenol
CID 71365863
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
2-chloroethyl 2-phenylprop-2-enoate
CID 56997241
3-hydroxy-N-(2-methoxyethoxy)benzamide
CID 82722823
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
phenol;propyl carbamate
CID 174701394
methyl 2-(3-hydroxyphenyl)-2-oxoacetate
CID 19099743

Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-hydroxyphenyl)prop-2-enoate?
The IUPAC name of propyl 2-(3-hydroxyphenyl)prop-2-enoate (CID 174372133) is propyl 2-(3-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for propyl 2-(3-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for propyl 2-(3-hydroxyphenyl)prop-2-enoate is C=C(C(=O)OCCC)c1cccc(O)c1.
What is the InChIKey of propyl 2-(3-hydroxyphenyl)prop-2-enoate?
The InChIKey is MYSABYHXBAVHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-3-7-15-12(14)9(2)10-5-4-6-11(13)8-10/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of propyl 2-(3-hydroxyphenyl)prop-2-enoate?
propyl 2-(3-hydroxyphenyl)prop-2-enoate has a molecular weight of 206.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 174372133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).