3-(2-ethoxy-5-fluorophenyl)prop-2-enal

C11H11FO2 — CID 169459314

IUPAC3-(2-ethoxy-5-fluorophenyl)prop-2-enal
SMILESCCOc1ccc(F)cc1C=CC=O
InChIInChI=1S/C11H11FO2/c1-2-14-11-6-5-10(12)8-9(11)4-3-7-13/h3-8H,2H2,1H3
InChIKeyCEYPJWNHWZBCNE-UHFFFAOYSA-N
MW194.20 g/mol
LogP2.44
Rot. Bonds4

About 3-(2-ethoxy-5-fluorophenyl)prop-2-enal

3-(2-ethoxy-5-fluorophenyl)prop-2-enal (PubChem CID 169459314) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-(2-ethoxy-5-fluorophenyl)prop-2-enal.

Molecular Properties

Compound Name3-(2-ethoxy-5-fluorophenyl)prop-2-enal
PubChem CID169459314
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name3-(2-ethoxy-5-fluorophenyl)prop-2-enal
SMILESCCOc1ccc(F)cc1C=CC=O
InChIInChI=1S/C11H11FO2/c1-2-14-11-6-5-10(12)8-9(11)4-3-7-13/h3-8H,2H2,1H3
InChIKeyCEYPJWNHWZBCNE-UHFFFAOYSA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(5-fluoro-2-methoxyphenyl)prop-2-enal
CID 131847071
2-(2-ethoxy-5-fluorophenyl)acetaldehyde
CID 83876013
3-(5-bromo-2-propoxyphenyl)prop-2-enal
CID 79330486
4-ethoxy-3-[(E)-2-(4-fluorophenyl)ethenyl]benzoic acid
CID 69075311
3-[2-(difluoromethoxy)-4-fluorophenyl]prop-2-enal
CID 169459540
3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
(E)-3-(2-ethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
CID 39369360
N-ethyl-2-(4-fluoro-2-formylphenoxy)-N-methylacetamide
CID 107697615
2-[(3,5-dimethylphenyl)methoxy]-5-fluorobenzaldehyde
CID 107697277
ethyl 4-[2-(cyclopropylmethoxy)-5-fluorophenyl]but-3-enoate
CID 170796909

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-fluorophenyl)prop-2-enal?
The IUPAC name of 3-(2-ethoxy-5-fluorophenyl)prop-2-enal (CID 169459314) is 3-(2-ethoxy-5-fluorophenyl)prop-2-enal.
What is the SMILES notation for 3-(2-ethoxy-5-fluorophenyl)prop-2-enal?
The canonical SMILES for 3-(2-ethoxy-5-fluorophenyl)prop-2-enal is CCOc1ccc(F)cc1C=CC=O.
What is the InChIKey of 3-(2-ethoxy-5-fluorophenyl)prop-2-enal?
The InChIKey is CEYPJWNHWZBCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c1-2-14-11-6-5-10(12)8-9(11)4-3-7-13/h3-8H,2H2,1H3.
What are the key properties of 3-(2-ethoxy-5-fluorophenyl)prop-2-enal?
3-(2-ethoxy-5-fluorophenyl)prop-2-enal has a molecular weight of 194.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-fluorophenyl)prop-2-enal is sourced from PubChem (CID 169459314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).