methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate

C10H10O4 — CID 5353609

IUPACmethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(O)ccc1O
InChIInChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKeyBQCNSTFWSKOWMA-GORDUTHDSA-N
MW194.19 g/mol
LogP1.28
Rot. Bonds2

About methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate

methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate (PubChem CID 5353609) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
PubChem CID5353609
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(O)ccc1O
InChIInChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
InChIKeyBQCNSTFWSKOWMA-GORDUTHDSA-N
XLogP1.28
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate (CID 5353609) is methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate is COC(=O)/C=C/c1cc(O)ccc1O.
What is the InChIKey of methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate?
The InChIKey is BQCNSTFWSKOWMA-GORDUTHDSA-N. The full InChI is InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+.
What are the key properties of methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate?
methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(2,5-dihydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 5353609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).