2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H12ClFO3 — CID 114714106

IUPAC2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOc1ccc(C2CC(O)c3cc(F)ccc3O2)cc1Cl
InChIInChI=1S/C15H12ClFO3/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,18-19H,7H2
InChIKeyYJSQTVJHQARYEN-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.74
Rot. Bonds1

About 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol

2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714106) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714106
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOc1ccc(C2CC(O)c3cc(F)ccc3O2)cc1Cl
InChIInChI=1S/C15H12ClFO3/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,18-19H,7H2
InChIKeyYJSQTVJHQARYEN-UHFFFAOYSA-N
XLogP3.74
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(3-chloro-4-hydroxyphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950608
2-chloro-4-[6-fluoro-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]phenol
CID 114710478
(4R)-2-(3-chloro-4-hydroxyphenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104951010
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714043
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
7-fluoro-2-(3-fluoro-4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 107694148
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114714106) is 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is Oc1ccc(C2CC(O)c3cc(F)ccc3O2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YJSQTVJHQARYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,18-19H,7H2.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 294.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).