2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

C15H11BrClFO2 — CID 114714436

IUPAC2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFO2/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2
InChIKeyZGXMGHWLUCZKRA-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.80
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol

2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714436) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714436
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11BrClFO2/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2
InChIKeyZGXMGHWLUCZKRA-UHFFFAOYSA-N
XLogP4.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714604
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
6-chloro-2-(3-chloro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106819475
(4R)-6-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104949177
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
6-chloro-2-(3,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714427

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol (CID 114714436) is 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZGXMGHWLUCZKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15,19H,7H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol?
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 357.61 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).