1-(4-acetylphenoxy)butyl prop-2-enoate

C15H18O4 — CID 59237709

IUPAC1-(4-acetylphenoxy)butyl prop-2-enoate
SMILESC=CC(=O)OC(CCC)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18O4/c1-4-6-15(19-14(17)5-2)18-13-9-7-12(8-10-13)11(3)16/h5,7-10,15H,2,4,6H2,1,3H3
InChIKeyJWAMDJPBNLQQDT-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-acetylphenoxy)butyl prop-2-enoate

1-(4-acetylphenoxy)butyl prop-2-enoate (PubChem CID 59237709) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-acetylphenoxy)butyl prop-2-enoate.

Molecular Properties

Compound Name1-(4-acetylphenoxy)butyl prop-2-enoate
PubChem CID59237709
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name1-(4-acetylphenoxy)butyl prop-2-enoate
SMILESC=CC(=O)OC(CCC)Oc1ccc(C(C)=O)cc1
InChIInChI=1S/C15H18O4/c1-4-6-15(19-14(17)5-2)18-13-9-7-12(8-10-13)11(3)16/h5,7-10,15H,2,4,6H2,1,3H3
InChIKeyJWAMDJPBNLQQDT-UHFFFAOYSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-acetylphenoxy)butyl prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[4-[4-(1-prop-2-enoyloxybutoxy)phenyl]buta-1,3-diynyl]phenoxy]butyl prop-2-enoate
CID 89053451
[4-(1-prop-2-enoyloxypentoxy)phenyl] 4-prop-2-enoylbenzoate
CID 89276913
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
[1-(4-benzoylphenoxy)-2-hydroxyethyl] prop-2-enoate
CID 67527646
[4-[(4-hexoxyphenyl)methoxy]phenyl] 4-(1-prop-2-enoyloxyhexoxy)benzoate
CID 122424910
1-[4-[4-[1-(2-methylprop-2-enoyloxy)butoxy]phenyl]sulfanylphenoxy]butyl 2-methylprop-2-enoate
CID 176691620
[4-(1-prop-2-enoyloxyoctoxy)phenyl] 4-(2-formyl-4-hydroxynon-1-en-5-yl)oxybenzoate
CID 88849566
[2-methyl-4-[4-(1-prop-2-enoyloxydodecoxy)benzoyl]oxyphenyl] 4-(12-prop-2-enoyloxydodecoxy)benzoate
CID 153438758
(4-propanoylphenyl) prop-2-enoate
CID 86070287
bis(1-ethenoxybutyl) benzene-1,4-dicarboxylate
CID 69124445
1-phenoxybutyl propanoate
CID 139884705
[3-methoxy-4-[4-(1-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 176764622

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenoxy)butyl prop-2-enoate?
The IUPAC name of 1-(4-acetylphenoxy)butyl prop-2-enoate (CID 59237709) is 1-(4-acetylphenoxy)butyl prop-2-enoate.
What is the SMILES notation for 1-(4-acetylphenoxy)butyl prop-2-enoate?
The canonical SMILES for 1-(4-acetylphenoxy)butyl prop-2-enoate is C=CC(=O)OC(CCC)Oc1ccc(C(C)=O)cc1.
What is the InChIKey of 1-(4-acetylphenoxy)butyl prop-2-enoate?
The InChIKey is JWAMDJPBNLQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-6-15(19-14(17)5-2)18-13-9-7-12(8-10-13)11(3)16/h5,7-10,15H,2,4,6H2,1,3H3.
What are the key properties of 1-(4-acetylphenoxy)butyl prop-2-enoate?
1-(4-acetylphenoxy)butyl prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenoxy)butyl prop-2-enoate is sourced from PubChem (CID 59237709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).