3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one

C15H9FO4 — CID 154947609

IUPAC3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one
SMILESO=c1oc2c(O)c(O)ccc2cc1-c1cccc(F)c1
InChIInChI=1S/C15H9FO4/c16-10-3-1-2-8(6-10)11-7-9-4-5-12(17)13(18)14(9)20-15(11)19/h1-7,17-18H
InChIKeyAYGHGYMOPLORRC-UHFFFAOYSA-N
MW272.23 g/mol
LogP3.01
Rot. Bonds1

About 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one

3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one (PubChem CID 154947609) has the molecular formula C15H9FO4 and a molecular weight of 272.23 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one
PubChem CID154947609
Molecular FormulaC15H9FO4
Molecular Weight272.23 g/mol
Exact Mass272.05
IUPAC Name3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one
SMILESO=c1oc2c(O)c(O)ccc2cc1-c1cccc(F)c1
InChIInChI=1S/C15H9FO4/c16-10-3-1-2-8(6-10)11-7-9-4-5-12(17)13(18)14(9)20-15(11)19/h1-7,17-18H
InChIKeyAYGHGYMOPLORRC-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-7,8-dihydroxychromen-2-one
CID 171782308
7-hydroxy-8-iodo-3-phenylchromen-2-one
CID 12695316
6-(3-fluorophenyl)-2,8-dioxopyrano[2,3-f]chromene-3,9-dicarboxylic acid
CID 154634330
1,4,5,6-tetrahydroxyxanthen-3-one
CID 118495757
8-hydroxy-3-(4-methylphenyl)chromen-2-one
CID 73355033
6,7,8-trihydroxy-3-pyridin-3-ylchromen-2-one
CID 134911870
3-(3,5-ditert-butyl-2-hydroxyphenyl)-7,8-dihydroxychromen-2-one
CID 10022785
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxychromen-2-one
CID 20904234
2-(3-fluorophenyl)-1-hydroxycyclopenta[b]naphthalen-3-one
CID 134090389
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-phenylchromen-2-one
CID 7205030
3-fluoro-4-(3-fluorophenyl)phenol
CID 46312656
3-amino-2-(3-fluorophenyl)phenol
CID 22173848

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one?
The IUPAC name of 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one (CID 154947609) is 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one is O=c1oc2c(O)c(O)ccc2cc1-c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one?
The InChIKey is AYGHGYMOPLORRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FO4/c16-10-3-1-2-8(6-10)11-7-9-4-5-12(17)13(18)14(9)20-15(11)19/h1-7,17-18H.
What are the key properties of 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one?
3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one has a molecular weight of 272.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-7,8-dihydroxychromen-2-one is sourced from PubChem (CID 154947609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).