(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H11BrF2O2 — CID 106534714

IUPAC(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(F)cc(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H11BrF2O2/c16-9-1-2-12-13(19)7-14(20-15(12)5-9)8-3-10(17)6-11(18)4-8/h1-6,13-14,19H,7H2/t13-,14?/m0/s1
InChIKeyUPNHJZTZRDTCNG-LSLKUGRBSA-N
MW341.15 g/mol
LogP4.28
Rot. Bonds1

About (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol

(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 106534714) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID106534714
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1CC(c2cc(F)cc(F)c2)Oc2cc(Br)ccc21
InChIInChI=1S/C15H11BrF2O2/c16-9-1-2-12-13(19)7-14(20-15(12)5-9)8-3-10(17)6-11(18)4-8/h1-6,13-14,19H,7H2/t13-,14?/m0/s1
InChIKeyUPNHJZTZRDTCNG-LSLKUGRBSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.28
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
7-bromo-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714730
(4S)-7-bromo-2-(5-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104980275
(4S)-7-bromo-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404379
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
7-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714674
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
7-bromo-2-(2-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714801
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
(4S)-7-bromo-2-(4-methoxy-3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949593
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 106534714) is (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is O[C@H]1CC(c2cc(F)cc(F)c2)Oc2cc(Br)ccc21.
What is the InChIKey of (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is UPNHJZTZRDTCNG-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-9-1-2-12-13(19)7-14(20-15(12)5-9)8-3-10(17)6-11(18)4-8/h1-6,13-14,19H,7H2/t13-,14?/m0/s1.
What are the key properties of (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 341.15 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 106534714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).