5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate

C23H26O5 — CID 174534430

IUPAC5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C23H26O5/c1-16(2)23(26)27-14-8-7-9-17(3)28-19-12-13-20(21(24)15-19)22(25)18-10-5-4-6-11-18/h4-6,10-13,15,17,24H,1,7-9,14H2,2-3H3
InChIKeyQUYVFDKWWPRYSG-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.68
Rot. Bonds10

About 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate

5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate (PubChem CID 174534430) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate
PubChem CID174534430
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C23H26O5/c1-16(2)23(26)27-14-8-7-9-17(3)28-19-12-13-20(21(24)15-19)22(25)18-10-5-4-6-11-18/h4-6,10-13,15,17,24H,1,7-9,14H2,2-3H3
InChIKeyQUYVFDKWWPRYSG-UHFFFAOYSA-N
XLogP4.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
8-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]octyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 66671830
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
4-(4-benzoyl-2,3-dihydroxyphenoxy)hexyl 2-methylprop-2-enoate
CID 174599139
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 22102020
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
[4-(6-aminohexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 54336810
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate?
The IUPAC name of 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate (CID 174534430) is 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC(C)Oc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate?
The InChIKey is QUYVFDKWWPRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-16(2)23(26)27-14-8-7-9-17(3)28-19-12-13-20(21(24)15-19)22(25)18-10-5-4-6-11-18/h4-6,10-13,15,17,24H,1,7-9,14H2,2-3H3.
What are the key properties of 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate?
5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate has a molecular weight of 382.46 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 174534430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).