(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene

C17H17BrO3 — CID 138970314

IUPAC(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene
SMILESCO[C@@H]1Oc2ccc(Br)cc2[C@@H](OC)[C@H]1c1ccccc1
InChIInChI=1S/C17H17BrO3/c1-19-16-13-10-12(18)8-9-14(13)21-17(20-2)15(16)11-6-4-3-5-7-11/h3-10,15-17H,1-2H3/t15-,16-,17-/m1/s1
InChIKeySTZJPRXCLUPZHD-BRWVUGGUSA-N
MW349.22 g/mol
LogP4.29
Rot. Bonds3

About (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene

(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene (PubChem CID 138970314) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene
PubChem CID138970314
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene
SMILESCO[C@@H]1Oc2ccc(Br)cc2[C@@H](OC)[C@H]1c1ccccc1
InChIInChI=1S/C17H17BrO3/c1-19-16-13-10-12(18)8-9-14(13)21-17(20-2)15(16)11-6-4-3-5-7-11/h3-10,15-17H,1-2H3/t15-,16-,17-/m1/s1
InChIKeySTZJPRXCLUPZHD-BRWVUGGUSA-N
XLogP4.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene (CID 138970314) is (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene is CO[C@@H]1Oc2ccc(Br)cc2[C@@H](OC)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene?
The InChIKey is STZJPRXCLUPZHD-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-19-16-13-10-12(18)8-9-14(13)21-17(20-2)15(16)11-6-4-3-5-7-11/h3-10,15-17H,1-2H3/t15-,16-,17-/m1/s1.
What are the key properties of (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene?
(2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene has a molecular weight of 349.22 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-6-bromo-2,4-dimethoxy-3-phenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 138970314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).