ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate

C11H11ClO3 — CID 169481281

IUPACethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(Cl)c1O
InChIInChI=1S/C11H11ClO3/c1-2-15-10(13)7-6-8-4-3-5-9(12)11(8)14/h3-7,14H,2H2,1H3
InChIKeyYAGAQLKOSSIARZ-UHFFFAOYSA-N
MW226.66 g/mol
LogP2.62
Rot. Bonds3

About ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate

ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate (PubChem CID 169481281) has the molecular formula C11H11ClO3 and a molecular weight of 226.66 g/mol. Its IUPAC name is ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
PubChem CID169481281
Molecular FormulaC11H11ClO3
Molecular Weight226.66 g/mol
Exact Mass226.04
IUPAC Nameethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(Cl)c1O
InChIInChI=1S/C11H11ClO3/c1-2-15-10(13)7-6-8-4-3-5-9(12)11(8)14/h3-7,14H,2H2,1H3
InChIKeyYAGAQLKOSSIARZ-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-(2-chloro-6-methylphenyl)prop-2-enoate
CID 91755247
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(2-chloro-6-fluorophenyl)prop-2-enoate
CID 67314943
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl 3-(5-chloro-2-hydroxy-3-methylphenyl)prop-2-enoate
CID 169480257
ethyl 3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 169480315
ethyl (Z)-3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 135341226

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate (CID 169481281) is ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate is CCOC(=O)C=Cc1cccc(Cl)c1O.
What is the InChIKey of ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate?
The InChIKey is YAGAQLKOSSIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO3/c1-2-15-10(13)7-6-8-4-3-5-9(12)11(8)14/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate?
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate has a molecular weight of 226.66 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 169481281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).