(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one

C15H11FO3 — CID 178046170

IUPAC(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(F)c(O)cc1O
InChIInChI=1S/C15H11FO3/c16-12-8-11(14(18)9-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H/b7-6+
InChIKeyDZEORZNDXZCHOM-VOTSOKGWSA-N
MW258.25 g/mol
LogP3.13
Rot. Bonds3

About (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one

(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 178046170) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID178046170
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1cc(F)c(O)cc1O
InChIInChI=1S/C15H11FO3/c16-12-8-11(14(18)9-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H/b7-6+
InChIKeyDZEORZNDXZCHOM-VOTSOKGWSA-N
XLogP3.13
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2,5-dihydroxyphenyl)-3-phenylprop-2-en-1-one
CID 174535088
3-[4-hydroxy-3-(3-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 54370841
(E)-1-(4-chloro-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 146010544
1-(4,5-difluoro-2-methoxyphenyl)-3-phenylprop-2-en-1-one
CID 162367051
1-(5-bromo-2-fluorophenyl)-3-phenylprop-2-en-1-one
CID 71848316
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 70236184
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
(E)-1-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 10399428
2,4-dihydroxy-5-[(Z)-3-(2-hydroxyphenyl)prop-2-enoyl]benzoic acid
CID 96892114
(E)-1-(2-fluorophenyl)-3-(3-hydroxyphenyl)prop-2-en-1-one
CID 8855869
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
methyl 4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]benzoate
CID 11565405

Frequently Asked Questions

What is the IUPAC name of (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one (CID 178046170) is (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1cc(F)c(O)cc1O.
What is the InChIKey of (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is DZEORZNDXZCHOM-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11FO3/c16-12-8-11(14(18)9-15(12)19)13(17)7-6-10-4-2-1-3-5-10/h1-9,18-19H/b7-6+.
What are the key properties of (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one?
(E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 258.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5-fluoro-2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 178046170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).