2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate

C18H16O6 — CID 141065793

IUPAC2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)c2ccccc2)c(O)c1O
InChIInChI=1S/C18H16O6/c1-2-15(19)24-11-10-23-14-9-8-13(17(21)18(14)22)16(20)12-6-4-3-5-7-12/h2-9,21-22H,1,10-11H2
InChIKeyHYKVFPXVKQOGGT-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.44
Rot. Bonds7

About 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate

2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate (PubChem CID 141065793) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
PubChem CID141065793
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccc(C(=O)c2ccccc2)c(O)c1O
InChIInChI=1S/C18H16O6/c1-2-15(19)24-11-10-23-14-9-8-13(17(21)18(14)22)16(20)12-6-4-3-5-7-12/h2-9,21-22H,1,10-11H2
InChIKeyHYKVFPXVKQOGGT-UHFFFAOYSA-N
XLogP2.44
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
1-O-[2-[2-(4-chlorobenzoyl)phenoxy]ethyl] 4-O-(2-prop-2-enoyloxyethyl) butanedioate
CID 175485181
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
phthalic acid;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162086806
2-(2,3-diaminophenoxy)ethyl prop-2-enoate
CID 141212699
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
2-[3-[(3-benzoyl-2,6-dihydroxyphenyl)diazenyl]-2-methylphenyl]ethyl prop-2-enoate
CID 141455331

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate (CID 141065793) is 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccc(C(=O)c2ccccc2)c(O)c1O.
What is the InChIKey of 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate?
The InChIKey is HYKVFPXVKQOGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-2-15(19)24-11-10-23-14-9-8-13(17(21)18(14)22)16(20)12-6-4-3-5-7-12/h2-9,21-22H,1,10-11H2.
What are the key properties of 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate?
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate has a molecular weight of 328.32 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 141065793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).