6-(2-benzoylphenoxy)hexyl prop-2-enoate

C22H24O4 — CID 172762769

IUPAC6-(2-benzoylphenoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H24O4/c1-2-21(23)26-17-11-4-3-10-16-25-20-15-9-8-14-19(20)22(24)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2
InChIKeyLXIKFUSCKZTHET-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.59
Rot. Bonds11

About 6-(2-benzoylphenoxy)hexyl prop-2-enoate

6-(2-benzoylphenoxy)hexyl prop-2-enoate (PubChem CID 172762769) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-(2-benzoylphenoxy)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(2-benzoylphenoxy)hexyl prop-2-enoate
PubChem CID172762769
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name6-(2-benzoylphenoxy)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C22H24O4/c1-2-21(23)26-17-11-4-3-10-16-25-20-15-9-8-14-19(20)22(24)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2
InChIKeyLXIKFUSCKZTHET-UHFFFAOYSA-N
XLogP4.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-hydroxybutoxy)phenyl]-phenylmethanone
CID 166068572
[2-(4-bromobutoxy)phenyl]-phenylmethanone
CID 12660376
3-(2-acetylphenoxy)propyl prop-2-enoate
CID 142301416
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
CID 141065793
1-O-[2-[2-(4-chlorobenzoyl)phenoxy]ethyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate
CID 175485181
2-[4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxybenzoic acid
CID 159577137
8-(4-benzoylperoxycarbonylphenoxy)octyl prop-2-enoate
CID 150942028
12-(2-phenyldiazenylphenoxy)dodecyl prop-2-enoate
CID 141194405
[2-phenyl-6-(6-prop-2-enoyloxyhexoxy)phenyl] benzoate
CID 139987175

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzoylphenoxy)hexyl prop-2-enoate?
The IUPAC name of 6-(2-benzoylphenoxy)hexyl prop-2-enoate (CID 172762769) is 6-(2-benzoylphenoxy)hexyl prop-2-enoate.
What is the SMILES notation for 6-(2-benzoylphenoxy)hexyl prop-2-enoate?
The canonical SMILES for 6-(2-benzoylphenoxy)hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 6-(2-benzoylphenoxy)hexyl prop-2-enoate?
The InChIKey is LXIKFUSCKZTHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-2-21(23)26-17-11-4-3-10-16-25-20-15-9-8-14-19(20)22(24)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2.
What are the key properties of 6-(2-benzoylphenoxy)hexyl prop-2-enoate?
6-(2-benzoylphenoxy)hexyl prop-2-enoate has a molecular weight of 352.43 g/mol, XLogP of 4.59, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzoylphenoxy)hexyl prop-2-enoate is sourced from PubChem (CID 172762769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).