[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

C23H24O8 — CID 66671823

IUPAC[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCOc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C18H16O6.C5H8O2/c1-11(2)18(22)24-10-23-12-7-8-14(16(20)9-12)17(21)13-5-3-4-6-15(13)19;1-4(2)5(6)7-3/h3-9,19-20H,1,10H2,2H3;1H2,2-3H3
InChIKeyMINQNXXIVUKJKI-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.52
Rot. Bonds7

About [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate

[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 66671823) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID66671823
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCOc1ccc(C(=O)c2ccccc2O)c(O)c1
InChIInChI=1S/C18H16O6.C5H8O2/c1-11(2)18(22)24-10-23-12-7-8-14(16(20)9-12)17(21)13-5-3-4-6-15(13)19;1-4(2)5(6)7-3/h3-9,19-20H,1,10H2,2H3;1H2,2-3H3
InChIKeyMINQNXXIVUKJKI-UHFFFAOYSA-N
XLogP3.52
TPSA119.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]octyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 66671830
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
[3-(4-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
ethane;methane;phenoxymethyl 2-methylprop-2-enoate
CID 161278326
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
[4-(2-methylprop-2-enoyloxymethoxy)phenyl] 2-fluoro-4-(2-methylprop-2-enoyloxymethoxy)benzoate
CID 158166257
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
formaldehyde;bis((2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone);bis((2-hydroxy-4-methoxyphenyl)-phenylmethanone)
CID 158936805
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
2-(4-benzoyl-3-hydroxyphenoxy)ethyl prop-2-enoate;butyl 2-methylprop-2-enoate
CID 67726276
prop-2-enyl 2-(2-hydroxy-4-prop-2-enoxybenzoyl)benzoate
CID 15686890

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate (CID 66671823) is [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCOc1ccc(C(=O)c2ccccc2O)c(O)c1.
What is the InChIKey of [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is MINQNXXIVUKJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6.C5H8O2/c1-11(2)18(22)24-10-23-12-7-8-14(16(20)9-12)17(21)13-5-3-4-6-15(13)19;1-4(2)5(6)7-3/h3-9,19-20H,1,10H2,2H3;1H2,2-3H3.
What are the key properties of [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate?
[3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 428.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(2-hydroxybenzoyl)phenoxy]methyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 66671823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).