Amiloxate

C15H20O3 — CID 1549789

IUPAC3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCC(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChIInChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+
InChIKeyUBNYRXMKIIGMKK-RMKNXTFCSA-N
MW248.32 g/mol
LogP3.90
Rot. Bonds7

About Amiloxate

Amiloxate (PubChem CID 1549789) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound NameAmiloxate
PubChem CID1549789
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCC(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChIInChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+
InChIKeyUBNYRXMKIIGMKK-RMKNXTFCSA-N
XLogP3.90
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity263

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Anethole
CID 637563
Estragole
CID 8815
Octinoxate
CID 5355130
O-Methoxycinnamaldehyde, (E)-
CID 641298
Yangonin
CID 5281575
6-Methylcoumarin
CID 7092
4-Methylphenyl acetate
CID 8797
4-Methylanisole
CID 7731
4-Methoxycinnamic Acid
CID 699414
4-Methoxybenzyl acetate
CID 7695
4-Methoxybenzyl formate
CID 61054
2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester
CID 21630

Frequently Asked Questions

What is the IUPAC name of Amiloxate?
The IUPAC name of Amiloxate (CID 1549789) is 3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for Amiloxate?
The canonical SMILES for Amiloxate is CC(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC.
What is the InChIKey of Amiloxate?
The InChIKey is UBNYRXMKIIGMKK-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+.
What are the key properties of Amiloxate?
Amiloxate has a molecular weight of 248.32 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Amiloxate is sourced from PubChem (CID 1549789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).