(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol

C13H15BrO — CID 98162631

IUPAC(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol
SMILESO[C@@H]1C(Br)=C[C@@]23C=CC=C[C@@]12CCCC3
InChIInChI=1S/C13H15BrO/c14-10-9-12-5-1-3-7-13(12,11(10)15)8-4-2-6-12/h1,3,5,7,9,11,15H,2,4,6,8H2/t11-,12+,13-/m1/s1
InChIKeyITCLKBWWVBDKIL-FRRDWIJNSA-N
MW267.17 g/mol
LogP3.31
Rot. Bonds

About (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol

(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol (PubChem CID 98162631) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol.

Molecular Properties

Compound Name(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol
PubChem CID98162631
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol
SMILESO[C@@H]1C(Br)=C[C@@]23C=CC=C[C@@]12CCCC3
InChIInChI=1S/C13H15BrO/c14-10-9-12-5-1-3-7-13(12,11(10)15)8-4-2-6-12/h1,3,5,7,9,11,15H,2,4,6,8H2/t11-,12+,13-/m1/s1
InChIKeyITCLKBWWVBDKIL-FRRDWIJNSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol with MolForge

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Related Compounds

(1S,6R,11S)-11-chloro-12λ6-thiatricyclo[4.4.3.01,6]trideca-2,4-diene 12,12-dioxide
CID 92526025
spiro[4.14]nonadeca-1,3-diene
CID 59742110
2,2-dimethylcyclohexan-1-ol
CID 557637
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
spiro[1,3-dihydroindene-2,1'-cyclohexane]-1-ol
CID 21433631
3-methylidene-1-propan-2-ylcycloheptane-1,2-diol
CID 130152274
tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene
CID 13017125
4a,8a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 26067
1-hydroxyspiro[4.4]non-2-en-4-one
CID 14294736
2,4-dibromo-4-iodocyclohexa-1,5-dien-1-ol
CID 86604246
8a-methyl-2,6-dihydro-1H-azulen-6-ol
CID 14321294
1-[1-(5-bromofuran-2-yl)cyclopentyl]ethanol
CID 83693532

Frequently Asked Questions

What is the IUPAC name of (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol?
The IUPAC name of (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol (CID 98162631) is (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol.
What is the SMILES notation for (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol?
The canonical SMILES for (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol is O[C@@H]1C(Br)=C[C@@]23C=CC=C[C@@]12CCCC3.
What is the InChIKey of (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol?
The InChIKey is ITCLKBWWVBDKIL-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H15BrO/c14-10-9-12-5-1-3-7-13(12,11(10)15)8-4-2-6-12/h1,3,5,7,9,11,15H,2,4,6,8H2/t11-,12+,13-/m1/s1.
What are the key properties of (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol?
(1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol has a molecular weight of 267.17 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,11S)-12-bromotricyclo[4.4.3.01,6]trideca-2,4,12-trien-11-ol is sourced from PubChem (CID 98162631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).