2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

C17H13FO5 — CID 57405805

IUPAC2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(F)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C17H13FO5/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,20H,1-2H3
InChIKeySNBOZBULNAXGSD-UHFFFAOYSA-N
MW316.28 g/mol
LogP3.32
Rot. Bonds3

About 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (PubChem CID 57405805) has the molecular formula C17H13FO5 and a molecular weight of 316.28 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
PubChem CID57405805
Molecular FormulaC17H13FO5
Molecular Weight316.28 g/mol
Exact Mass316.07
IUPAC Name2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
SMILESCOc1cc2oc(-c3ccc(F)cc3)cc(=O)c2c(O)c1OC
InChIInChI=1S/C17H13FO5/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,20H,1-2H3
InChIKeySNBOZBULNAXGSD-UHFFFAOYSA-N
XLogP3.32
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-6,7-dimethoxy-2-(4-phenylphenyl)chromen-4-one
CID 127039057
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
6-ethoxy-5-hydroxy-7-methoxy-2-phenylchromen-4-one
CID 11209160
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
CID 130383696
2-(3,5-dihydroxy-2-methoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 71665818
5-hydroxy-6,7-dimethoxy-2-[4-[(2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 154962907
methyl 2-(5-hydroxy-7-methoxy-4-oxo-2-phenylchromen-6-yl)oxyacetate
CID 141463684
5-hydroxy-6-[4-(5-hydroxy-7-methyl-4-oxochromen-2-yl)phenoxy]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 163046966
5,7-dihydroxy-6-methoxy-2-(4-methylsulfonylphenyl)chromen-4-one
CID 57405632
2-[4-[4-[ethyl-[(2-methoxyphenyl)methyl]amino]butoxy]phenyl]-5-hydroxy-6,7-dimethoxychromen-4-one
CID 122177820
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
5-hydroxy-6,7-dimethoxy-2-[3-(4-methylpiperazine-1-carbonyl)phenyl]chromen-4-one
CID 142727332

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one (CID 57405805) is 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is COc1cc2oc(-c3ccc(F)cc3)cc(=O)c2c(O)c1OC.
What is the InChIKey of 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
The InChIKey is SNBOZBULNAXGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO5/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,20H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one?
2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one has a molecular weight of 316.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-hydroxy-6,7-dimethoxychromen-4-one is sourced from PubChem (CID 57405805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).