methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate

C11H9ClO4 — CID 102230344

IUPACmethyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate
SMILESCOC(=O)/C=C/Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C11H9ClO4/c1-15-11(14)4-5-16-10-3-2-9(12)6-8(10)7-13/h2-7H,1H3/b5-4+
InChIKeyWHNNLOKFSOWJIJ-SNAWJCMRSA-N
MW240.64 g/mol
LogP2.22
Rot. Bonds4

About methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate

methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate (PubChem CID 102230344) has the molecular formula C11H9ClO4 and a molecular weight of 240.64 g/mol. Its IUPAC name is methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate
PubChem CID102230344
Molecular FormulaC11H9ClO4
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Namemethyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate
SMILESCOC(=O)/C=C/Oc1ccc(Cl)cc1C=O
InChIInChI=1S/C11H9ClO4/c1-15-11(14)4-5-16-10-3-2-9(12)6-8(10)7-13/h2-7H,1H3/b5-4+
InChIKeyWHNNLOKFSOWJIJ-SNAWJCMRSA-N
XLogP2.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-chloro-2-formylphenyl)prop-2-enoate
CID 75631786
methyl 3-(5-chloro-2-isocyanophenoxy)prop-2-enoate
CID 154632771
2-bromo-4-chlorobenzaldehyde;methyl (E)-3-(2-bromo-4-chlorophenyl)prop-2-enoate
CID 158910064
methyl (E)-3-(5-chloro-2-methoxyanilino)prop-2-enoate
CID 103233655
methyl 3-(2-amino-4-chlorophenyl)prop-2-enoate
CID 54391756
methyl 3-(2-bromo-5-chlorophenyl)prop-2-enoate
CID 169479768
methyl 3-(5-chloro-3-formyl-2-hydroxyphenyl)prop-2-enoate
CID 169479153
methyl (Z)-3-(2,4-dichloroanilino)prop-2-enoate
CID 134105159
(4-chloro-2-formylphenyl) 4-chlorobenzoate
CID 806646
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
methyl (E)-2-[4-chloro-2-[(E)-3-methoxy-3-oxoprop-1-enyl]phenoxy]-3-methoxyprop-2-enoate
CID 70194043
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate?
The IUPAC name of methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate (CID 102230344) is methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate is COC(=O)/C=C/Oc1ccc(Cl)cc1C=O.
What is the InChIKey of methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate?
The InChIKey is WHNNLOKFSOWJIJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H9ClO4/c1-15-11(14)4-5-16-10-3-2-9(12)6-8(10)7-13/h2-7H,1H3/b5-4+.
What are the key properties of methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate?
methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate has a molecular weight of 240.64 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(4-chloro-2-formylphenoxy)prop-2-enoate is sourced from PubChem (CID 102230344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).