methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

C11H12O4 — CID 5357283

IUPACmethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChIKeyAUJXJFHANFIVKH-GQCTYLIASA-N
MW208.21 g/mol
LogP1.59
Rot. Bonds3

About methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (PubChem CID 5357283) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID5357283
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Namemethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1ccc(O)c(OC)c1
InChIInChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+
InChIKeyAUJXJFHANFIVKH-GQCTYLIASA-N
XLogP1.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CID 5357283) is methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is COC(=O)/C=C/c1ccc(O)c(OC)c1.
What is the InChIKey of methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
The InChIKey is AUJXJFHANFIVKH-GQCTYLIASA-N. The full InChI is InChI=1S/C11H12O4/c1-14-10-7-8(3-5-9(10)12)4-6-11(13)15-2/h3-7,12H,1-2H3/b6-4+.
What are the key properties of methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate?
methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 5357283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).