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

C11H12O4 — CID 131872620

IUPACethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C11H12O4/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h3-7,12-13H,2H2,1H3/b4-3+
InChIKeyDMCDNACTBQGDGZ-ONEGZZNKSA-N
MW208.21 g/mol
LogP1.67
Rot. Bonds3

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

ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate (PubChem CID 131872620) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
PubChem CID131872620
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Nameethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc(O)cc(O)c1
InChIInChI=1S/C11H12O4/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h3-7,12-13H,2H2,1H3/b4-3+
InChIKeyDMCDNACTBQGDGZ-ONEGZZNKSA-N
XLogP1.67
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(3-carbamoyl-5-hydroxyphenyl)prop-2-enoate
CID 54012170
ethyl 3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enoate
CID 86072917
ethyl 3-(6-hydroxynaphthalen-2-yl)prop-2-enoate
CID 131876701
ethyl 3-(3-hydroxy-4-methylphenyl)prop-2-enoate
CID 169480077
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-[3,5-difluoro-4-(hydroxymethyl)phenyl]prop-2-enoate
CID 118464785
ethyl (E)-3-(3,5-dichloro-4-methoxyphenyl)prop-2-enoate
CID 67390103
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
ethyl (E)-3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 86611645
ethyl 3-(3-chloro-5-fluorophenyl)prop-2-enoate
CID 91491190
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate (CID 131872620) is ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate is CCOC(=O)/C=C/c1cc(O)cc(O)c1.
What is the InChIKey of ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate?
The InChIKey is DMCDNACTBQGDGZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12O4/c1-2-15-11(14)4-3-8-5-9(12)7-10(13)6-8/h3-7,12-13H,2H2,1H3/b4-3+.
What are the key properties of ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate?
ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate has a molecular weight of 208.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3,5-dihydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 131872620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).