(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C15H11BrClFO2 — CID 104951757

IUPAC(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(Br)cc2Cl)Oc2cc(F)ccc21
InChIInChI=1S/C15H11BrClFO2/c16-8-1-3-10(12(17)5-8)15-7-13(19)11-4-2-9(18)6-14(11)20-15/h1-6,13,15,19H,7H2/t13-,15?/m1/s1
InChIKeyUSFJYUNHMYOQPM-AFYYWNPRSA-N
MW357.61 g/mol
LogP4.80
Rot. Bonds1

About (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104951757) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID104951757
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2ccc(Br)cc2Cl)Oc2cc(F)ccc21
InChIInChI=1S/C15H11BrClFO2/c16-8-1-3-10(12(17)5-8)15-7-13(19)11-4-2-9(18)6-14(11)20-15/h1-6,13,15,19H,7H2/t13-,15?/m1/s1
InChIKeyUSFJYUNHMYOQPM-AFYYWNPRSA-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

2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
2-(4-bromo-2-chlorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715455
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
2-(4-bromo-2-chlorophenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710554
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 104951757) is (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2ccc(Br)cc2Cl)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is USFJYUNHMYOQPM-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-8-1-3-10(12(17)5-8)15-7-13(19)11-4-2-9(18)6-14(11)20-15/h1-6,13,15,19H,7H2/t13-,15?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-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 (4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104951757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).