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

C15H13BrO — CID 71410185

IUPAC(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
SMILESBr[C@H]1Cc2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C15H13BrO/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15H,10H2/t13-,15-/m0/s1
InChIKeyINJYKLDBVVBBFQ-ZFWWWQNUSA-N
MW289.17 g/mol
LogP4.13
Rot. Bonds1

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

(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene (PubChem CID 71410185) has the molecular formula C15H13BrO and a molecular weight of 289.17 g/mol. Its IUPAC name is (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
PubChem CID71410185
Molecular FormulaC15H13BrO
Molecular Weight289.17 g/mol
Exact Mass288.01
IUPAC Name(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene
SMILESBr[C@H]1Cc2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C15H13BrO/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15H,10H2/t13-,15-/m0/s1
InChIKeyINJYKLDBVVBBFQ-ZFWWWQNUSA-N
XLogP4.13
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 ≤ 54.13
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

2-phenyl-3,4-dihydro-2H-chromen-3-amine
CID 12822974
4-(2-phenyl-3,4-dihydro-2H-chromen-3-yl)phenol
CID 174419462
(2S,3R)-2-(4-methoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromene
CID 138963774
2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
2,11-dioxatetracyclo[8.8.3.03,8.012,17]henicosa-3,5,7,12,14,16-hexaene
CID 123821193
(2R,3S)-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
CID 168762983
(2S,3S)-3-phenyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 10658583
(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
2-[bromo(phenyl)methyl]-2,3-dihydro-1-benzofuran
CID 61084687
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
CID 140983033
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene (CID 71410185) is (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene is Br[C@H]1Cc2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is INJYKLDBVVBBFQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H13BrO/c16-13-10-12-8-4-5-9-14(12)17-15(13)11-6-2-1-3-7-11/h1-9,13,15H,10H2/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene?
(2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 289.17 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-bromo-2-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71410185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).