6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate

C23H26O4 — CID 20588637

IUPAC6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H26O4/c1-3-23(25)27-17-7-5-4-6-16-26-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18(2)24/h3,8-15H,1,4-7,16-17H2,2H3
InChIKeyPZMGOLSEPYEILA-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.22
Rot. Bonds11

About 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate

6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate (PubChem CID 20588637) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
PubChem CID20588637
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C23H26O4/c1-3-23(25)27-17-7-5-4-6-16-26-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18(2)24/h3,8-15H,1,4-7,16-17H2,2H3
InChIKeyPZMGOLSEPYEILA-UHFFFAOYSA-N
XLogP5.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.22
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

3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
methyl 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 58785395
4-(10-prop-2-enoyloxydecoxy)benzoic acid
CID 18942550
[4-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyphenyl] 4-[4-(4-prop-2-enoyloxybutoxy)phenyl]benzoate
CID 118547337
[4-(6-prop-2-enoyloxyhexoxy)benzoyl] 4-phenylbenzoate
CID 174791572
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-[4-(6-bromohexoxy)phenyl]benzoate
CID 102233914
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
8-[4-(3,5-difluorophenyl)phenoxy]octyl prop-2-enoate
CID 134446776
8-[4-(4-cyanophenyl)phenoxy]octyl prop-2-enoate
CID 67732032
7-[4-(4-cyanophenyl)phenoxy]heptyl prop-2-enoate
CID 67732052
[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 154601614
[4-(6-prop-2-enoyloxyhexoxy)phenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate
CID 10165717

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate (CID 20588637) is 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(-c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate?
The InChIKey is PZMGOLSEPYEILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-3-23(25)27-17-7-5-4-6-16-26-22-14-12-21(13-15-22)20-10-8-19(9-11-20)18(2)24/h3,8-15H,1,4-7,16-17H2,2H3.
What are the key properties of 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate?
6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate has a molecular weight of 366.46 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylphenyl)phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 20588637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).