(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid

C15H11FO3 — CID 5399136

IUPAC(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-10H,(H,17,18)/b10-5+
InChIKeyBXEPYPAITBZKTN-BJMVGYQFSA-N
MW258.25 g/mol
LogP3.72
Rot. Bonds4

About (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid

(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid (PubChem CID 5399136) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
PubChem CID5399136
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid
SMILESO=C(O)/C=C/c1ccccc1Oc1ccc(F)cc1
InChIInChI=1S/C15H11FO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-10H,(H,17,18)/b10-5+
InChIKeyBXEPYPAITBZKTN-BJMVGYQFSA-N
XLogP3.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-phenoxyphenyl)prop-2-enoic acid
CID 737422
3-[2-(4-methylphenoxy)phenyl]prop-2-enoic acid
CID 737486
3-[2-(2-chloro-4-fluorophenoxy)phenyl]prop-2-enoic acid
CID 76886621
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
(Z)-3-[2-(3,4-difluorophenoxy)phenyl]prop-2-enamide
CID 170876774
(E)-3-[3-(4-methylphenoxy)-2-(4-methylphenyl)phenyl]prop-2-enoic acid
CID 175089680
methyl (E)-3-[2-[4-(4-methoxyphenoxy)phenoxy]phenyl]prop-2-enoate
CID 73427465
(E)-3-[3-(4-iodophenoxy)-2-(4-iodophenyl)phenyl]prop-2-enoic acid
CID 175349969
3-[2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 5116496
N-ethyl-3-(2-phenoxyphenyl)prop-2-enamide
CID 70351376
3-[2-[2-(4-chlorophenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 20994228
3-[2-(4-fluorophenoxy)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 68782881

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid (CID 5399136) is (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid is O=C(O)/C=C/c1ccccc1Oc1ccc(F)cc1.
What is the InChIKey of (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid?
The InChIKey is BXEPYPAITBZKTN-BJMVGYQFSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-6-8-13(9-7-12)19-14-4-2-1-3-11(14)5-10-15(17)18/h1-10H,(H,17,18)/b10-5+.
What are the key properties of (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid?
(E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid has a molecular weight of 258.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoic acid is sourced from PubChem (CID 5399136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).