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

C15H11BrClFO2 — CID 114715610

IUPAC6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2c(F)cccc2Cl)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFO2/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14,19H,7H2
InChIKeyYCRZCZOVZGNOPP-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.80
Rot. Bonds1

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

6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715610) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715610
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2c(F)cccc2Cl)Oc2ccc(Br)cc21
InChIInChI=1S/C15H11BrClFO2/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14,19H,7H2
InChIKeyYCRZCZOVZGNOPP-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

(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
6-bromo-2-(3,4-dichlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715570
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
(4R)-2-(2-chloro-6-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948265
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
6-chloro-2-(2,3-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714453
(4R)-6-bromo-2-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951447
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
(4S)-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945891

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715610) is 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2c(F)cccc2Cl)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YCRZCZOVZGNOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-8-4-5-13-9(6-8)12(19)7-14(20-13)15-10(17)2-1-3-11(15)18/h1-6,12,14,19H,7H2.
What are the key properties of 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
6-bromo-2-(2-chloro-6-fluorophenyl)-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 6-bromo-2-(2-chloro-6-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).