(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate

C19H17FO4 — CID 39199735

IUPAC(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate
SMILESC=CCc1cc(C=O)cc(OC)c1OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17FO4/c1-3-4-15-9-14(12-21)10-17(23-2)19(15)24-18(22)11-13-5-7-16(20)8-6-13/h3,5-10,12H,1,4,11H2,2H3
InChIKeyFKWHKFPOEQEXLH-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.52
Rot. Bonds7

About (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate

(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate (PubChem CID 39199735) has the molecular formula C19H17FO4 and a molecular weight of 328.34 g/mol. Its IUPAC name is (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate
PubChem CID39199735
Molecular FormulaC19H17FO4
Molecular Weight328.34 g/mol
Exact Mass328.11
IUPAC Name(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate
SMILESC=CCc1cc(C=O)cc(OC)c1OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H17FO4/c1-3-4-15-9-14(12-21)10-17(23-2)19(15)24-18(22)11-13-5-7-16(20)8-6-13/h3,5-10,12H,1,4,11H2,2H3
InChIKeyFKWHKFPOEQEXLH-UHFFFAOYSA-N
XLogP3.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]hydroxylamine
CID 126081313
(3-formylphenyl) 2-(4-fluorophenyl)acetate
CID 39199738
N-[(4-ethoxy-3-methoxy-5-prop-2-enylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 17213394
N-[(4-fluorophenyl)methyl]-4-methoxy-3-prop-2-enylbenzamide
CID 92647071
N-(4-fluorophenyl)-2-(4-formyl-2,6-dimethoxyphenoxy)acetamide
CID 28913369
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
methyl 2-(2-fluoro-5-formyl-3-methoxyphenyl)acetate
CID 171022888
(4-formyl-2-methoxyphenyl) 4-fluorobenzoate
CID 766120
methyl (2S)-2-[(5E)-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126075302
(E)-2-(3-fluorophenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]prop-2-enenitrile
CID 126394589
2-[(4-formyl-2-methoxy-6-prop-2-enylphenoxy)methyl]benzonitrile
CID 882546
4-(2,4-dinitrophenoxy)-3-methoxy-5-prop-2-enylbenzaldehyde
CID 126099639

Frequently Asked Questions

What is the IUPAC name of (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate?
The IUPAC name of (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate (CID 39199735) is (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate.
What is the SMILES notation for (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate?
The canonical SMILES for (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate is C=CCc1cc(C=O)cc(OC)c1OC(=O)Cc1ccc(F)cc1.
What is the InChIKey of (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate?
The InChIKey is FKWHKFPOEQEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FO4/c1-3-4-15-9-14(12-21)10-17(23-2)19(15)24-18(22)11-13-5-7-16(20)8-6-13/h3,5-10,12H,1,4,11H2,2H3.
What are the key properties of (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate?
(4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate has a molecular weight of 328.34 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-formyl-2-methoxy-6-prop-2-enylphenyl) 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 39199735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).