bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)

C52H56Br8O4 — CID 139191506

IUPACbis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)
SMILESCC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O
InChIInChI=1S/4C13H14Br2O/c4*1-7(2)9-4-3-8-5-11(14)12(15)6-10(8)13(9)16/h4*3-7,9,13,16H,1-2H3/t4*9-,13-/m1100/s1
InChIKeyYUCQGDIKSHSVOK-XCJUJNAASA-N
MW1384.25 g/mol
LogP18.18
Rot. Bonds4

About bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)

bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) (PubChem CID 139191506) has the molecular formula C52H56Br8O4 and a molecular weight of 1384.25 g/mol. Its IUPAC name is bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol).

Molecular Properties

Compound Namebis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)
PubChem CID139191506
Molecular FormulaC52H56Br8O4
Molecular Weight1384.25 g/mol
Exact Mass1375.76
IUPAC Namebis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)
SMILESCC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O
InChIInChI=1S/4C13H14Br2O/c4*1-7(2)9-4-3-8-5-11(14)12(15)6-10(8)13(9)16/h4*3-7,9,13,16H,1-2H3/t4*9-,13-/m1100/s1
InChIKeyYUCQGDIKSHSVOK-XCJUJNAASA-N
XLogP18.18
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001384.25
LogP ≤ 518.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) with MolForge

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Related Compounds

Bromadiolone metabolite Unk 1
CID 139595396
(1S,2S)-6,7-dibromo-2-(3-fluorophenyl)-1,2-dihydronaphthalen-1-ol
CID 134957191
(1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
CID 25068462
4-Bromo-2-[(4-ethylphenyl)methyl]-1-(trifluoromethyl)benzene;[5-bromo-2-(trifluoromethyl)phenyl]-(4-ethylphenyl)methanol
CID 160871203
Erythro-(1-(2'-bromophenyl)-1-hydroxyprop-2-yl)triphenylphosphonium bromide
CID 129860833
(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol
CID 134957190
1-(2-Bromonaphthalen-1-yl)-2-(2-methylphenyl)ethanol
CID 135015718
(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
CID 135026300
(R)-[(1S,2S,4aS,10aR)-7-bromo-1-(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]-phenylmethanol
CID 139038692
(R)-[(1R,2R,4aR,10aS)-7-bromo-1-(hydroxymethyl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-2-yl]-phenylmethanol
CID 139038693
CID 139079914
CID 139079914
(1R,2S)-2-[(1S)-1-(4-bromophenyl)prop-2-enyl]-2-methyl-1-phenylpropane-1,3-diol
CID 139122840

Frequently Asked Questions

What is the IUPAC name of bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)?
The IUPAC name of bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) (CID 139191506) is bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol).
What is the SMILES notation for bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)?
The canonical SMILES for bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) is CC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O.CC(C)[C@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O.
What is the InChIKey of bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)?
The InChIKey is YUCQGDIKSHSVOK-XCJUJNAASA-N. The full InChI is InChI=1S/4C13H14Br2O/c4*1-7(2)9-4-3-8-5-11(14)12(15)6-10(8)13(9)16/h4*3-7,9,13,16H,1-2H3/t4*9-,13-/m1100/s1.
What are the key properties of bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol)?
bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) has a molecular weight of 1384.25 g/mol, XLogP of 18.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((1R,2S)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol);bis((1S,2R)-6,7-dibromo-2-propan-2-yl-1,2-dihydronaphthalen-1-ol) is sourced from PubChem (CID 139191506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).