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

C16H12Br2O — CID 25068462

IUPAC(1R,2S)-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+/m0/s1
InChIKeyGQBVMTNFUCBTDM-BLLLJJGKSA-N
MW380.08 g/mol
LogP5.06
Rot. Bonds1

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

(1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol (PubChem CID 25068462) has the molecular formula C16H12Br2O and a molecular weight of 380.08 g/mol. Its IUPAC name is (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol
PubChem CID25068462
Molecular FormulaC16H12Br2O
Molecular Weight380.08 g/mol
Exact Mass377.93
IUPAC Name(1R,2S)-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+/m0/s1
InChIKeyGQBVMTNFUCBTDM-BLLLJJGKSA-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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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
(3-Bromophenyl)(phenyl)methanol
CID 285827
Bromadiolone metabolite Unk 1
CID 139595396
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
1-Naphthalenol, 3-(4'-bromo(1,1'-biphenyl)-4-yl)-1,2,3,4-tetrahydro-
CID 92048
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573
(5-Bromo-2-(hydroxymethyl)phenyl)methanol
CID 10798791
(4-Bromo-2-methylphenyl)methanol
CID 22280088
1-[4-(4-Bromophenyl)phenyl]hexane-1,6-diol
CID 11233364
(5-Bromo-2-methylphenyl)methanol
CID 12993770
(4-Bromophenyl)(4-fluorophenyl)methanol
CID 13354004

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol (CID 25068462) is (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-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 (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
The InChIKey is GQBVMTNFUCBTDM-BLLLJJGKSA-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+/m0/s1.
What are the key properties of (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol?
(1R,2S)-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 (1R,2S)-6,7-dibromo-2-phenyl-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 25068462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).