[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate

C20H20O5 — CID 22102020

IUPAC[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C20H20O5/c1-13(2)20(24)25-12-16(21)10-14-8-9-17(18(22)11-14)19(23)15-6-4-3-5-7-15/h3-9,11,16,21-22H,1,10,12H2,2H3
InChIKeyMIAVPDVRVKHOBF-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.65
Rot. Bonds7

About [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate

[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate (PubChem CID 22102020) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
PubChem CID22102020
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C20H20O5/c1-13(2)20(24)25-12-16(21)10-14-8-9-17(18(22)11-14)19(23)15-6-4-3-5-7-15/h3-9,11,16,21-22H,1,10,12H2,2H3
InChIKeyMIAVPDVRVKHOBF-UHFFFAOYSA-N
XLogP2.65
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
CID 70252178
[3-(4-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
5-(4-benzoyl-3-hydroxyphenoxy)hexyl 2-methylprop-2-enoate
CID 174534430
1-(4-benzoyl-3-hydroxyphenoxy)butan-2-yl 2-methylprop-2-enoate
CID 23434433
N-(4-benzoyl-3-hydroxyphenyl)-2-methylprop-2-enamide
CID 139798342
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
(4-benzoylphenyl)methyl 2-methylprop-2-enoate
CID 140797450
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
CID 175588914
2-(3-benzoyl-2,6-dihydroxyphenyl)ethyl 2-methylprop-2-enoate
CID 169082390
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]phenyl]propan-2-yl]phenyl]propyl] 2-methylprop-2-enoate
CID 154273531
2-(4-benzoyl-2,3-dihydroxyphenoxy)ethyl 2-methylprop-2-enoate
CID 141385428
2-(4-benzoyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 89363324

Frequently Asked Questions

What is the IUPAC name of [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate (CID 22102020) is [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate?
The InChIKey is MIAVPDVRVKHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-13(2)20(24)25-12-16(21)10-14-8-9-17(18(22)11-14)19(23)15-6-4-3-5-7-15/h3-9,11,16,21-22H,1,10,12H2,2H3.
What are the key properties of [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate?
[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 22102020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).