(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

C16H18Br2O — CID 135026300

IUPAC(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCC(C)(C)/C=C/[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O
InChIInChI=1S/C16H18Br2O/c1-16(2,3)7-6-10-4-5-11-8-13(17)14(18)9-12(11)15(10)19/h4-10,15,19H,1-3H3/b7-6+/t10-,15+/m0/s1
InChIKeyVIZPRMYEEDCJCQ-QPSDLKGJSA-N
MW386.13 g/mol
LogP5.49
Rot. Bonds1

About (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol

(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol (PubChem CID 135026300) has the molecular formula C16H18Br2O and a molecular weight of 386.13 g/mol. Its IUPAC name is (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
PubChem CID135026300
Molecular FormulaC16H18Br2O
Molecular Weight386.13 g/mol
Exact Mass383.97
IUPAC Name(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol
SMILESCC(C)(C)/C=C/[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O
InChIInChI=1S/C16H18Br2O/c1-16(2,3)7-6-10-4-5-11-8-13(17)14(18)9-12(11)15(10)19/h4-10,15,19H,1-3H3/b7-6+/t10-,15+/m0/s1
InChIKeyVIZPRMYEEDCJCQ-QPSDLKGJSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.13
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol with MolForge

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Related Compounds

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CID 95352
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(1R)-1-(3-bromophenyl)ethan-1-ol
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(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261
(1R)-1-(4-bromophenyl)ethan-1-ol
CID 6950173
(5-Bromo-2-(hydroxymethyl)phenyl)methanol
CID 10798791
1-(3-Bromophenyl)propan-1-ol
CID 11790580
(4-Bromo-2-methylphenyl)methanol
CID 22280088
(R)-1-(4-Bromophenyl)-1-propanol
CID 6950740

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The IUPAC name of (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol (CID 135026300) is (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The canonical SMILES for (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol is CC(C)(C)/C=C/[C@@H]1C=Cc2cc(Br)c(Br)cc2[C@@H]1O.
What is the InChIKey of (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
The InChIKey is VIZPRMYEEDCJCQ-QPSDLKGJSA-N. The full InChI is InChI=1S/C16H18Br2O/c1-16(2,3)7-6-10-4-5-11-8-13(17)14(18)9-12(11)15(10)19/h4-10,15,19H,1-3H3/b7-6+/t10-,15+/m0/s1.
What are the key properties of (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol?
(1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol has a molecular weight of 386.13 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-6,7-dibromo-2-[(E)-3,3-dimethylbut-1-enyl]-1,2-dihydronaphthalen-1-ol is sourced from PubChem (CID 135026300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).