2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene

C16H14Br2O2 — CID 23150368

IUPAC2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
SMILESCOC1c2cc(Br)ccc2-c2ccc(Br)cc2C1OC
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
InChIKeyXVDRTUVFNVUYKT-UHFFFAOYSA-N
MW398.09 g/mol
LogP5.27
Rot. Bonds2

About 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene

2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene (PubChem CID 23150368) has the molecular formula C16H14Br2O2 and a molecular weight of 398.09 g/mol. Its IUPAC name is 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
PubChem CID23150368
Molecular FormulaC16H14Br2O2
Molecular Weight398.09 g/mol
Exact Mass395.94
IUPAC Name2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene
SMILESCOC1c2cc(Br)ccc2-c2ccc(Br)cc2C1OC
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
InChIKeyXVDRTUVFNVUYKT-UHFFFAOYSA-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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Related Compounds

3,6-Dibromo-9,10-dimethyl-9,10-dihydrophenanthrene-9,10-diol
CID 13659222
(4abeta,9beta,10beta)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 147241
(4abeta,9alpha,10alpha)-7-Bromo-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 147244
6-Bromo-8-fluoro-1-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 58995747
2-Bromo-7-(1-ethoxyethenyl)-9,9,10,10-tetrafluorophenanthrene
CID 122602713
1-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-bromo-1,2,3,4-tetrahydronaphthalene
CID 155181434
(4S,4aR,10bR)-4-(4-bromophenyl)-2,4,4a,5,6,10b-hexahydro-1H-benzo[f]isochromene
CID 54753883
2-(2-bromonaphthalen-1-yl)-5-methyl-3,6-dihydro-2H-pyran
CID 101512806
2-(2-bromonaphthalen-1-yl)-4-methyl-3,6-dihydro-2H-pyran
CID 101512812
trans-9,10-Dimethoxy-9,10-dihydrophenanthrene
CID 101720938
(1R,2R)-7-bromo-1,2-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 134833207
[(1R,2R)-7-bromo-2-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] nitrate
CID 134857102

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The IUPAC name of 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene (CID 23150368) is 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene.
What is the SMILES notation for 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The canonical SMILES for 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene is COC1c2cc(Br)ccc2-c2ccc(Br)cc2C1OC.
What is the InChIKey of 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
The InChIKey is XVDRTUVFNVUYKT-UHFFFAOYSA-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.
What are the key properties of 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene?
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 2,7-dibromo-9,10-dimethoxy-9,10-dihydrophenanthrene is sourced from PubChem (CID 23150368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).