3-(4-formylphenoxy)prop-2-enoic acid

C10H8O4 — CID 54235714

IUPAC3-(4-formylphenoxy)prop-2-enoic acid
SMILESO=Cc1ccc(OC=CC(=O)O)cc1
InChIInChI=1S/C10H8O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-7H,(H,12,13)
InChIKeyQMKMHGZVBBTYMN-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.48
Rot. Bonds4

About 3-(4-formylphenoxy)prop-2-enoic acid

3-(4-formylphenoxy)prop-2-enoic acid (PubChem CID 54235714) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(4-formylphenoxy)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-formylphenoxy)prop-2-enoic acid
PubChem CID54235714
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name3-(4-formylphenoxy)prop-2-enoic acid
SMILESO=Cc1ccc(OC=CC(=O)O)cc1
InChIInChI=1S/C10H8O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-7H,(H,12,13)
InChIKeyQMKMHGZVBBTYMN-UHFFFAOYSA-N
XLogP1.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(4-phenyldiazenylphenoxy)prop-2-enoic acid
CID 91565799
(E)-4-(4-formylphenyl)but-2-enoic acid
CID 167512845
benzene;terephthalaldehyde
CID 163498156
acetic acid;4-hydroxybenzaldehyde
CID 86610069
(E)-3-[4-(4-formyl-N-(4-formylphenyl)anilino)phenyl]prop-2-enoic acid
CID 132562716
4-(4-formylphenoxy)-4-oxobutanoic acid
CID 71362683
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(4-formylphenyl) ethaneperoxoate
CID 23111518
3-[2-(2-carboxyethenoxy)-5-[2-[4-(2-carboxyethenoxy)phenyl]propan-2-yl]phenyl]prop-2-enoic acid
CID 68729024
4-[2-(4-formylphenyl)-2-oxoacetyl]benzaldehyde
CID 641325
(4-formylphenyl) 2-(4-formylphenyl)-2-oxoacetate
CID 91308324
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylphenoxy)prop-2-enoic acid?
The IUPAC name of 3-(4-formylphenoxy)prop-2-enoic acid (CID 54235714) is 3-(4-formylphenoxy)prop-2-enoic acid.
What is the SMILES notation for 3-(4-formylphenoxy)prop-2-enoic acid?
The canonical SMILES for 3-(4-formylphenoxy)prop-2-enoic acid is O=Cc1ccc(OC=CC(=O)O)cc1.
What is the InChIKey of 3-(4-formylphenoxy)prop-2-enoic acid?
The InChIKey is QMKMHGZVBBTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4/c11-7-8-1-3-9(4-2-8)14-6-5-10(12)13/h1-7H,(H,12,13).
What are the key properties of 3-(4-formylphenoxy)prop-2-enoic acid?
3-(4-formylphenoxy)prop-2-enoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylphenoxy)prop-2-enoic acid is sourced from PubChem (CID 54235714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).