(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate

C12H13NO4 — CID 174819780

IUPAC(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NC(C)=O)c(O)c1
InChIInChI=1S/C12H13NO4/c1-7(2)12(16)17-9-4-5-10(11(15)6-9)13-8(3)14/h4-6,15H,1H2,2-3H3,(H,13,14)
InChIKeyYXYQEWVJGWSJMR-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.83
Rot. Bonds3

About (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate

(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate (PubChem CID 174819780) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate
PubChem CID174819780
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1ccc(NC(C)=O)c(O)c1
InChIInChI=1S/C12H13NO4/c1-7(2)12(16)17-9-4-5-10(11(15)6-9)13-8(3)14/h4-6,15H,1H2,2-3H3,(H,13,14)
InChIKeyYXYQEWVJGWSJMR-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[4-[4-(2-methylprop-2-enoyloxy)benzoyl]phenyl] 2-methylprop-2-enoate
CID 86688842
[4-[bis[2-methyl-4-(2-methylprop-2-enoyloxy)phenyl]methyl]-3-methylphenyl] 2-methylprop-2-enoate
CID 147925089
[3-hydroxy-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 90250869
[3-[4-[3-(2-methylprop-2-enoyloxy)phenoxy]phenoxy]phenyl] 2-methylprop-2-enoate
CID 59739192
[3-acetyl-4-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate
CID 169258569
[6-(3-methoxy-3-oxoprop-1-enyl)naphthalen-2-yl] 2-methylprop-2-enoate
CID 54241956
[4-(2-methylprop-2-enoyloxy)phenyl] 3,4-dihydroxybenzoate
CID 156522744
[4-bis[4-(2-methylprop-2-enoyloxy)phenyl]stibanylphenyl] 2-methylprop-2-enoate
CID 172846034
[4-[[4-[bis[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl]-[4-(2-methylprop-2-enoyloxy)phenyl]methyl]phenyl] 2-methylprop-2-enoate
CID 169009058
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylpropanoate
CID 126555024
[4-(4-methoxybenzoyl)phenyl] 2-methylprop-2-enoate
CID 67394366

Frequently Asked Questions

What is the IUPAC name of (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate?
The IUPAC name of (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate (CID 174819780) is (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate.
What is the SMILES notation for (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate?
The canonical SMILES for (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate is C=C(C)C(=O)Oc1ccc(NC(C)=O)c(O)c1.
What is the InChIKey of (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate?
The InChIKey is YXYQEWVJGWSJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7(2)12(16)17-9-4-5-10(11(15)6-9)13-8(3)14/h4-6,15H,1H2,2-3H3,(H,13,14).
What are the key properties of (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate?
(4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate has a molecular weight of 235.24 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamido-3-hydroxyphenyl) 2-methylprop-2-enoate is sourced from PubChem (CID 174819780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).