methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate

C11H12O3 — CID 130130051

IUPACmethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
SMILESCOC(=O)C(=CO)c1ccc(C)cc1
InChIInChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(7-12)11(13)14-2/h3-7,12H,1-2H3
InChIKeyGDDYQDQRDJUVPA-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.07
Rot. Bonds2

About methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate

methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate (PubChem CID 130130051) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
PubChem CID130130051
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Namemethyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate
SMILESCOC(=O)C(=CO)c1ccc(C)cc1
InChIInChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(7-12)11(13)14-2/h3-7,12H,1-2H3
InChIKeyGDDYQDQRDJUVPA-UHFFFAOYSA-N
XLogP2.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate?
The IUPAC name of methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate (CID 130130051) is methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate is COC(=O)C(=CO)c1ccc(C)cc1.
What is the InChIKey of methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate?
The InChIKey is GDDYQDQRDJUVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(7-12)11(13)14-2/h3-7,12H,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate?
methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate has a molecular weight of 192.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 130130051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).