(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene

C16H14Br2O2 — CID 67433900

IUPAC(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
SMILESCO[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1OC
InChIInChI=1S/C16H14Br2O2/c1-19-15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15)20-2/h3-8,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyXVDRTUVFNVUYKT-HOTGVXAUSA-N
MW398.09 g/mol
LogP5.27
Rot. Bonds2

About (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene

(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene (PubChem CID 67433900) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
PubChem CID67433900
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
SMILESCO[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1OC
InChIInChI=1S/C16H14Br2O2/c1-19-15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15)20-2/h3-8,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyXVDRTUVFNVUYKT-HOTGVXAUSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.09
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The IUPAC name of (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene (CID 67433900) is (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The canonical SMILES for (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene is CO[C@H]1c2cc(Br)ccc2-c2ccc(Br)cc2[C@@H]1OC.
What is the InChIKey of (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The InChIKey is XVDRTUVFNVUYKT-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H14Br2O2/c1-19-15-13-7-9(17)3-5-11(13)12-6-4-10(18)8-14(12)16(15)20-2/h3-8,15-16H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
(9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene has a molecular weight of 398.09 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10S)-2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 67433900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).