(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate

C15H11FO3 — CID 175109384

IUPAC(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO3/c16-12-4-8-14(9-5-12)19-15(18)10-3-11-1-6-13(17)7-2-11/h1-10,17H/b10-3+
InChIKeyCBPUKILFDXFURS-XCVCLJGOSA-N
MW258.25 g/mol
LogP3.15
Rot. Bonds3

About (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate

(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate (PubChem CID 175109384) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
PubChem CID175109384
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(O)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO3/c16-12-4-8-14(9-5-12)19-15(18)10-3-11-1-6-13(17)7-2-11/h1-10,17H/b10-3+
InChIKeyCBPUKILFDXFURS-XCVCLJGOSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
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-fluorophenyl) 3-(4-methoxyphenyl)prop-2-enoate
CID 1328070
(4-methoxyphenyl) (E)-3-(4-fluorophenyl)prop-2-enoate
CID 724778
4-[(E)-3-(4-fluorophenoxy)-3-oxoprop-1-enyl]benzoic acid
CID 142730477
(4-hydroxyphenyl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 118274615
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxybenzoic acid
CID 67700859
ethane;(4-ethenylphenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 144902381
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
[4-(4-fluorobenzoyl)phenyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7931064

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The IUPAC name of (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate (CID 175109384) is (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The canonical SMILES for (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate is O=C(/C=C/c1ccc(O)cc1)Oc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate?
The InChIKey is CBPUKILFDXFURS-XCVCLJGOSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-4-8-14(9-5-12)19-15(18)10-3-11-1-6-13(17)7-2-11/h1-10,17H/b10-3+.
What are the key properties of (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate?
(4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate has a molecular weight of 258.25 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) (E)-3-(4-hydroxyphenyl)prop-2-enoate is sourced from PubChem (CID 175109384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).