(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate

C11H12O5 — CID 15162806

IUPAC(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(O)cc(OC)c1
InChIInChI=1S/C11H12O5/c1-3-4-15-11(13)16-10-6-8(12)5-9(7-10)14-2/h3,5-7,12H,1,4H2,2H3
InChIKeySKKYTJCOTHNYHR-UHFFFAOYSA-N
MW224.21 g/mol
LogP2.10
Rot. Bonds4

About (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate

(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate (PubChem CID 15162806) has the molecular formula C11H12O5 and a molecular weight of 224.21 g/mol. Its IUPAC name is (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate
PubChem CID15162806
Molecular FormulaC11H12O5
Molecular Weight224.21 g/mol
Exact Mass224.07
IUPAC Name(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate
SMILESC=CCOC(=O)Oc1cc(O)cc(OC)c1
InChIInChI=1S/C11H12O5/c1-3-4-15-11(13)16-10-6-8(12)5-9(7-10)14-2/h3,5-7,12H,1,4H2,2H3
InChIKeySKKYTJCOTHNYHR-UHFFFAOYSA-N
XLogP2.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate?
The IUPAC name of (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate (CID 15162806) is (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate.
What is the SMILES notation for (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate?
The canonical SMILES for (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate is C=CCOC(=O)Oc1cc(O)cc(OC)c1.
What is the InChIKey of (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate?
The InChIKey is SKKYTJCOTHNYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O5/c1-3-4-15-11(13)16-10-6-8(12)5-9(7-10)14-2/h3,5-7,12H,1,4H2,2H3.
What are the key properties of (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate?
(3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate has a molecular weight of 224.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-methoxyphenyl) prop-2-enyl carbonate is sourced from PubChem (CID 15162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).