methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate

C11H9ClO4 — CID 169479153

IUPACmethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H9ClO4/c1-16-10(14)3-2-7-4-9(12)5-8(6-13)11(7)15/h2-6,15H,1H3
InChIKeyAZFXKZRSCRUQRQ-UHFFFAOYSA-N
MW240.64 g/mol
LogP2.04
Rot. Bonds3

About methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate

methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate (PubChem CID 169479153) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
PubChem CID169479153
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Namemethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1cc(Cl)cc(C=O)c1O
InChIInChI=1S/C11H9ClO4/c1-16-10(14)3-2-7-4-9(12)5-8(6-13)11(7)15/h2-6,15H,1H3
InChIKeyAZFXKZRSCRUQRQ-UHFFFAOYSA-N
XLogP2.04
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169480515
methyl 3-(4-chloro-2-formylphenyl)prop-2-enoate
CID 75631786
methyl 3-(3-fluoro-5-formyl-4-hydroxyphenyl)prop-2-enoate
CID 169479167
2-bromo-4-chlorobenzaldehyde;methyl (E)-3-(2-bromo-4-chlorophenyl)prop-2-enoate
CID 158910064
methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 169479768
methyl (E)-3-(2-formylphenyl)prop-2-enoate
CID 11321421
methyl 3-(5-chloro-2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169478813
methyl 3-(5-chloro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479054
5-chloro-2-hydroxy-3-(4-oxobut-1-enyl)benzaldehyde
CID 170482087
methyl (E)-3-(3-amino-5-chloro-4-hydroxyphenyl)prop-2-enoate
CID 70539489
ethyl 3-(5-chloro-2-hydroxy-3-methylphenyl)prop-2-enoate
CID 169480257
methyl 3-(4-chloro-2,6-difluorophenyl)prop-2-enoate
CID 169479857

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate?
The IUPAC name of methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate (CID 169479153) is methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate is COC(=O)C=Cc1cc(Cl)cc(C=O)c1O.
What is the InChIKey of methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate?
The InChIKey is AZFXKZRSCRUQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO4/c1-16-10(14)3-2-7-4-9(12)5-8(6-13)11(7)15/h2-6,15H,1H3.
What are the key properties of methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate?
methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate has a molecular weight of 240.64 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 169479153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).