(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol

C16H12Br2O — CID 11474456

IUPAC(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2cc(Br)c(Br)cc2C=C[C@@H]1c1ccccc1
InChIInChI=1S/C16H12Br2O/c17-14-8-11-6-7-12(10-4-2-1-3-5-10)16(19)13(11)9-15(14)18/h1-9,12,16,19H/t12-,16+/m1/s1
InChIKeyGQBVMTNFUCBTDM-WBMJQRKESA-N
MW380.08 g/mol
LogP5.06
Rot. Bonds1

About (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol

(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol (PubChem CID 11474456) has the molecular formula C16H12Br2O and a molecular weight of 380.08 g/mol. Its IUPAC name is (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
PubChem CID11474456
Molecular FormulaC16H12Br2O
Molecular Weight380.08 g/mol
Exact Mass377.93
IUPAC Name(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
SMILESO[C@@H]1c2cc(Br)c(Br)cc2C=C[C@@H]1c1ccccc1
InChIInChI=1S/C16H12Br2O/c17-14-8-11-6-7-12(10-4-2-1-3-5-10)16(19)13(11)9-15(14)18/h1-9,12,16,19H/t12-,16+/m1/s1
InChIKeyGQBVMTNFUCBTDM-WBMJQRKESA-N
XLogP5.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.08
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol (CID 11474456) is (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol is O[C@@H]1c2cc(Br)c(Br)cc2C=C[C@@H]1c1ccccc1.
What is the InChIKey of (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is GQBVMTNFUCBTDM-WBMJQRKESA-N. The full InChI is InChI=1S/C16H12Br2O/c17-14-8-11-6-7-12(10-4-2-1-3-5-10)16(19)13(11)9-15(14)18/h1-9,12,16,19H/t12-,16+/m1/s1.
What are the key properties of (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
(1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol has a molecular weight of 380.08 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 11474456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).