(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol

C17H14Br2O — CID 134957190

IUPAC(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCc1ccc([C@@H]2C=Cc3cc(Br)c(Br)cc3[C@H]2O)cc1
InChIInChI=1S/C17H14Br2O/c1-10-2-4-11(5-3-10)13-7-6-12-8-15(18)16(19)9-14(12)17(13)20/h2-9,13,17,20H,1H3/t13-,17-/m0/s1
InChIKeyQBVMGWNARJDTDF-GUYCJALGSA-N
MW394.11 g/mol
LogP5.36
Rot. Bonds1

About (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol

(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol (PubChem CID 134957190) has the molecular formula C17H14Br2O and a molecular weight of 394.11 g/mol. Its IUPAC name is (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol
PubChem CID134957190
Molecular FormulaC17H14Br2O
Molecular Weight394.11 g/mol
Exact Mass391.94
IUPAC Name(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol
SMILESCc1ccc([C@@H]2C=Cc3cc(Br)c(Br)cc3[C@H]2O)cc1
InChIInChI=1S/C17H14Br2O/c1-10-2-4-11(5-3-10)13-7-6-12-8-15(18)16(19)9-14(12)17(13)20/h2-9,13,17,20H,1H3/t13-,17-/m0/s1
InChIKeyQBVMGWNARJDTDF-GUYCJALGSA-N
XLogP5.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.36
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
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
(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
7-Bromo-2-naphthalenemethanol
CID 22240133
2-[4-Bromo-2-(hydroxymethyl)phenyl]propan-2-ol
CID 68495520
4,4'-Dibromobenzhydrol
CID 520429

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol (CID 134957190) is (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol is Cc1ccc([C@@H]2C=Cc3cc(Br)c(Br)cc3[C@H]2O)cc1.
What is the InChIKey of (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol?
The InChIKey is QBVMGWNARJDTDF-GUYCJALGSA-N. The full InChI is InChI=1S/C17H14Br2O/c1-10-2-4-11(5-3-10)13-7-6-12-8-15(18)16(19)9-14(12)17(13)20/h2-9,13,17,20H,1H3/t13-,17-/m0/s1.
What are the key properties of (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol?
(1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol has a molecular weight of 394.11 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-6,7-dibromo-2-(4-methylphenyl)-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 134957190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).