1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one

C17H15FO4 — CID 130277516

IUPAC1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one
SMILESCOC(=Cc1ccccc1)C(=O)c1cc(F)cc(OC)c1O
InChIInChI=1S/C17H15FO4/c1-21-14(8-11-6-4-3-5-7-11)16(19)13-9-12(18)10-15(22-2)17(13)20/h3-10,20H,1-2H3
InChIKeyIJRSDVKXKJINBM-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.41
Rot. Bonds5

About 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one

1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one (PubChem CID 130277516) has the molecular formula C17H15FO4 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one
PubChem CID130277516
Molecular FormulaC17H15FO4
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one
SMILESCOC(=Cc1ccccc1)C(=O)c1cc(F)cc(OC)c1O
InChIInChI=1S/C17H15FO4/c1-21-14(8-11-6-4-3-5-7-11)16(19)13-9-12(18)10-15(22-2)17(13)20/h3-10,20H,1-2H3
InChIKeyIJRSDVKXKJINBM-UHFFFAOYSA-N
XLogP3.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-3-phenylprop-2-enoic acid
CID 7021154
CID 159805914
CID 159805914
europium;tris(2-methoxy-3-phenylprop-2-enoic acid)
CID 169448208
1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one
CID 154349590
2-bromo-1-(5-fluoro-2-hydroxy-3-methoxyphenyl)ethanone
CID 171020270
3-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-2-methoxyprop-2-en-1-one
CID 162917164
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
CID 158503337
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
2-(5-fluoro-2-hydroxy-3-methoxyphenyl)propanoic acid
CID 117305116
N-[4,5-dimethoxy-2-[(E)-1-phenylprop-1-en-2-yl]phenyl]acetamide
CID 102225062
(E)-1-(2,5-difluorophenyl)-2-methyl-3-phenylprop-2-en-1-one
CID 59347721

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one (CID 130277516) is 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one is COC(=Cc1ccccc1)C(=O)c1cc(F)cc(OC)c1O.
What is the InChIKey of 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one?
The InChIKey is IJRSDVKXKJINBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO4/c1-21-14(8-11-6-4-3-5-7-11)16(19)13-9-12(18)10-15(22-2)17(13)20/h3-10,20H,1-2H3.
What are the key properties of 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one?
1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one has a molecular weight of 302.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-hydroxy-3-methoxyphenyl)-2-methoxy-3-phenylprop-2-en-1-one is sourced from PubChem (CID 130277516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).