(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one

C15H10F2O3 — CID 6927928

IUPAC(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccccc1O)c1c(F)cccc1F
InChIInChI=1S/C15H10F2O3/c16-10-5-3-6-11(17)15(10)14(20)8-13(19)9-4-1-2-7-12(9)18/h1-8,18-19H/b13-8-
InChIKeyBMJJCKMNADLNEI-JYRVWZFOSA-N
MW276.24 g/mol
LogP3.45
Rot. Bonds3

About (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one

(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 6927928) has the molecular formula C15H10F2O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID6927928
Molecular FormulaC15H10F2O3
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C(\O)c1ccccc1O)c1c(F)cccc1F
InChIInChI=1S/C15H10F2O3/c16-10-5-3-6-11(17)15(10)14(20)8-13(19)9-4-1-2-7-12(9)18/h1-8,18-19H/b13-8-
InChIKeyBMJJCKMNADLNEI-JYRVWZFOSA-N
XLogP3.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 135044829
(1Z,4E)-5-(3-fluorophenyl)-1-hydroxy-1-(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 177386044
3-(3-bromophenyl)-3-hydroxy-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 7307866
methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
CID 82017652
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
bis(2-fluorophenyl)methanone;[2-fluoro-6-(2-fluorobenzoyl)phenyl]-phenylmethanone
CID 130332180
dilithium;hydride;2-hydroxybenzoic acid
CID 173002091
(Z)-3-hydroxy-3-(2-hydroxy-5-methylphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 7059682
2-fluoro-6-hydroxybenzamide
CID 15219200
1-(2-hydroxyphenyl)-3-methylbut-2-en-1-one
CID 15261544
(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499
(3-fluoro-2-hydroxyphenyl)-phenylmethanone
CID 10512885

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one (CID 6927928) is (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C(\O)c1ccccc1O)c1c(F)cccc1F.
What is the InChIKey of (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is BMJJCKMNADLNEI-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10F2O3/c16-10-5-3-6-11(17)15(10)14(20)8-13(19)9-4-1-2-7-12(9)18/h1-8,18-19H/b13-8-.
What are the key properties of (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one?
(Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 276.24 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-difluorophenyl)-3-hydroxy-3-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).