(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol

C15H12BrFO — CID 129383415

IUPAC(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(Br)cc21
InChIInChI=1S/C15H12BrFO/c16-10-3-6-12-13(8-15(18)14(12)7-10)9-1-4-11(17)5-2-9/h1-7,13,15,18H,8H2/t13-,15-/m1/s1
InChIKeyWVAKVIUEIQUPFT-UKRRQHHQSA-N
MW307.16 g/mol
LogP4.16
Rot. Bonds1

About (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol

(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 129383415) has the molecular formula C15H12BrFO and a molecular weight of 307.16 g/mol. Its IUPAC name is (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID129383415
Molecular FormulaC15H12BrFO
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(Br)cc21
InChIInChI=1S/C15H12BrFO/c16-10-3-6-12-13(8-15(18)14(12)7-10)9-1-4-11(17)5-2-9/h1-7,13,15,18H,8H2/t13-,15-/m1/s1
InChIKeyWVAKVIUEIQUPFT-UKRRQHHQSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
(1S,3R)-3-(4-fluorophenyl)-5-methyl-2,3-dihydro-1H-inden-1-ol
CID 129390819
(1S,3S)-3-(4-fluorophenyl)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 131848103
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(3R)-5-bromo-3-(4-fluorophenyl)-2,3-dihydroinden-1-one
CID 125481529
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
(4R)-6-bromo-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951446
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 131864185
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol (CID 129383415) is (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol is O[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(Br)cc21.
What is the InChIKey of (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WVAKVIUEIQUPFT-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H12BrFO/c16-10-3-6-12-13(8-15(18)14(12)7-10)9-1-4-11(17)5-2-9/h1-7,13,15,18H,8H2/t13-,15-/m1/s1.
What are the key properties of (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
(1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 307.16 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-6-bromo-3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 129383415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).