(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene

C15H13BrO — CID 71443708

IUPAC(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
SMILESBr[C@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H13BrO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15H,10H2/t13-,15+/m0/s1
InChIKeyMYSKOYBSIXTZER-DZGCQCFKSA-N
MW289.17 g/mol
LogP4.65
Rot. Bonds1

About (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene

(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 71443708) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID71443708
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene
SMILESBr[C@H]1C[C@H](c2ccccc2)Oc2ccccc21
InChIInChI=1S/C15H13BrO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15H,10H2/t13-,15+/m0/s1
InChIKeyMYSKOYBSIXTZER-DZGCQCFKSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
(2R,4R)-4-methyl-2-phenyl-3,4-dihydro-2H-chromene
CID 100969448
(2R,4S)-2-phenyl-3,4-dihydro-2H-chromene-4-carbonitrile
CID 62707492
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
N,6-dimethyl-2-phenyl-3,4-dihydro-2H-chromen-4-amine
CID 114712466
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715024
(4R)-2-(4-propan-2-yloxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950213
(1aR,2R,7bR)-2-phenyl-2,7b-dihydro-1aH-oxireno[2,3-c]chromene
CID 138977577
(2R,4R)-4-(4-nitrophenoxy)-2-phenyl-3,4-dihydro-2H-chromene
CID 71407648
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4R)-2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-ol
CID 104950149

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene (CID 71443708) is (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene is Br[C@H]1C[C@H](c2ccccc2)Oc2ccccc21.
What is the InChIKey of (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is MYSKOYBSIXTZER-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H13BrO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15H,10H2/t13-,15+/m0/s1.
What are the key properties of (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene?
(2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 289.17 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-bromo-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71443708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).