(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate

C16H13FO3 — CID 1328070

IUPAC(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FO3/c1-19-14-7-2-12(3-8-14)4-11-16(18)20-15-9-5-13(17)6-10-15/h2-11H,1H3
InChIKeySARRQACOKACCHB-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.45
Rot. Bonds4

About (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate

(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 1328070) has the molecular formula C16H13FO3 and a molecular weight of 272.28 g/mol. Its IUPAC name is (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
PubChem CID1328070
Molecular FormulaC16H13FO3
Molecular Weight272.28 g/mol
Exact Mass272.08
IUPAC Name(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(C=CC(=O)Oc2ccc(F)cc2)cc1
InChIInChI=1S/C16H13FO3/c1-19-14-7-2-12(3-8-14)4-11-16(18)20-15-9-5-13(17)6-10-15/h2-11H,1H3
InChIKeySARRQACOKACCHB-UHFFFAOYSA-N
XLogP3.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4-methoxyphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 724777
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
(4-formylphenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 71945324
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 175109384
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(2-carbamoyl-5-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 18276162
(4-cyanophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 4117354
naphthalen-2-yl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 886279
(4-benzoylphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 43910920

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate (CID 1328070) is (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(C=CC(=O)Oc2ccc(F)cc2)cc1.
What is the InChIKey of (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is SARRQACOKACCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FO3/c1-19-14-7-2-12(3-8-14)4-11-16(18)20-15-9-5-13(17)6-10-15/h2-11H,1H3.
What are the key properties of (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate?
(4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 272.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 1328070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).