(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

C17H15FO4 — CID 8764873

IUPAC(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO4/c1-20-15-8-9-16(21-2)12(11-15)3-10-17(19)22-14-6-4-13(18)5-7-14/h3-11H,1-2H3/b10-3+
InChIKeyHSQAKQVVETYIHC-XCVCLJGOSA-N
MW302.30 g/mol
LogP3.46
Rot. Bonds5

About (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (PubChem CID 8764873) has the molecular formula C17H15FO4 and a molecular weight of 302.30 g/mol. Its IUPAC name is (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
PubChem CID8764873
Molecular FormulaC17H15FO4
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
SMILESCOc1ccc(OC)c(/C=C/C(=O)Oc2ccc(F)cc2)c1
InChIInChI=1S/C17H15FO4/c1-20-15-8-9-16(21-2)12(11-15)3-10-17(19)22-14-6-4-13(18)5-7-14/h3-11H,1-2H3/b10-3+
InChIKeyHSQAKQVVETYIHC-XCVCLJGOSA-N
XLogP3.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)methyl (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7949466
[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2397099
(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
[4-(tetrazol-1-yl)phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7758652
(E)-3-(2,5-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]prop-2-enamide
CID 9050989
ethyl (E)-3-(5-fluoro-2-methoxyphenyl)prop-2-enoate
CID 10537093
(4-chlorophenyl) 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 732877
6-(2,5-dimethoxyphenyl)-4-oxohexa-2,5-dienoic acid
CID 54025408
(E)-1-(2,4-dimethoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 5332328
[2-(2-fluorophenyl)-2-oxoethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7654024

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate (CID 8764873) is (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is COc1ccc(OC)c(/C=C/C(=O)Oc2ccc(F)cc2)c1.
What is the InChIKey of (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
The InChIKey is HSQAKQVVETYIHC-XCVCLJGOSA-N. The full InChI is InChI=1S/C17H15FO4/c1-20-15-8-9-16(21-2)12(11-15)3-10-17(19)22-14-6-4-13(18)5-7-14/h3-11H,1-2H3/b10-3+.
What are the key properties of (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate?
(4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate has a molecular weight of 302.30 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 8764873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).