propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate

C13H16O3 — CID 174446510

IUPACpropyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate
SMILESC=C(C(=O)OCCC)c1ccc(C)c(O)c1
InChIInChI=1S/C13H16O3/c1-4-7-16-13(15)10(3)11-6-5-9(2)12(14)8-11/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyXAHCLITVDPCZBV-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.67
Rot. Bonds4

About propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate

propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate (PubChem CID 174446510) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate
PubChem CID174446510
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Namepropyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate
SMILESC=C(C(=O)OCCC)c1ccc(C)c(O)c1
InChIInChI=1S/C13H16O3/c1-4-7-16-13(15)10(3)11-6-5-9(2)12(14)8-11/h5-6,8,14H,3-4,7H2,1-2H3
InChIKeyXAHCLITVDPCZBV-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The IUPAC name of propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate (CID 174446510) is propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate.
What is the SMILES notation for propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The canonical SMILES for propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate is C=C(C(=O)OCCC)c1ccc(C)c(O)c1.
What is the InChIKey of propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate?
The InChIKey is XAHCLITVDPCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-4-7-16-13(15)10(3)11-6-5-9(2)12(14)8-11/h5-6,8,14H,3-4,7H2,1-2H3.
What are the key properties of propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate?
propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate has a molecular weight of 220.27 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(3-hydroxy-4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 174446510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).