[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate

C15H20O3 — CID 14056365

IUPAC[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate
SMILESC/C=C/c1cc(OC)ccc1OC(=O)C(C)CC
InChIInChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyYARRWVYKHJNVHX-FNORWQNLSA-N
MW248.32 g/mol
LogP3.68
Rot. Bonds5

About [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate

[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate (PubChem CID 14056365) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate.

Molecular Properties

Compound Name[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate
PubChem CID14056365
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate
SMILESC/C=C/c1cc(OC)ccc1OC(=O)C(C)CC
InChIInChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyYARRWVYKHJNVHX-FNORWQNLSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate?
The IUPAC name of [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate (CID 14056365) is [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate.
What is the SMILES notation for [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate?
The canonical SMILES for [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate is C/C=C/c1cc(OC)ccc1OC(=O)C(C)CC.
What is the InChIKey of [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate?
The InChIKey is YARRWVYKHJNVHX-FNORWQNLSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+.
What are the key properties of [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate?
[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate has a molecular weight of 248.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate is sourced from PubChem (CID 14056365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).