(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol

C12H14O2 — CID 130927469

IUPAC(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
SMILESO[C@@H]1CCCC2c3ccccc3[C@]21O
InChIInChI=1S/C12H14O2/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10,11)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10?,11-,12+/m1/s1
InChIKeyDHYZCLKAJRUSNH-SAIIYOCFSA-N
MW190.24 g/mol
LogP1.52
Rot. Bonds

About (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol

(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol (PubChem CID 130927469) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol.

Molecular Properties

Compound Name(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
PubChem CID130927469
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol
SMILESO[C@@H]1CCCC2c3ccccc3[C@]21O
InChIInChI=1S/C12H14O2/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10,11)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10?,11-,12+/m1/s1
InChIKeyDHYZCLKAJRUSNH-SAIIYOCFSA-N
XLogP1.52
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol with MolForge

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Related Compounds

(1S,8R)-tricyclo[6.5.0.02,7]trideca-2,4,6-trien-1-ol
CID 7055569
8b-methyl-2,3,4,4a-tetrahydro-1H-biphenylene
CID 54289417
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
(1S,4aR,9R,9aR)-1,2,3,4,4a,9-hexahydroxanthene-1,9,9a-triol
CID 102355312
cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
CID 10561805
trans-(1R,2R)-1-naphthalen-1-ylcyclohexane-1,2-diol
CID 102094905
(3aS,4R,8bS)-4-hydroxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]indene-4-carboxylic acid
CID 124707596
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
1-(2-cyclobutylphenyl)cyclopentane-1-carboxylic acid
CID 117362898
2-bromo-2-(2-chlorophenyl)cyclohexan-1-ol
CID 131274787
(3aR,7aS,11bR)-11b-methyl-1,2,3,4,5,6,7,7a-octahydrofluoreno[9,8a-b]pyrrole
CID 59542372
3-(2-cyclobutylphenyl)-5,5-dimethylthian-3-ol
CID 114601472

Frequently Asked Questions

What is the IUPAC name of (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol?
The IUPAC name of (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol (CID 130927469) is (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol.
What is the SMILES notation for (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol?
The canonical SMILES for (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol is O[C@@H]1CCCC2c3ccccc3[C@]21O.
What is the InChIKey of (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol?
The InChIKey is DHYZCLKAJRUSNH-SAIIYOCFSA-N. The full InChI is InChI=1S/C12H14O2/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10,11)14/h1-2,4-5,10-11,13-14H,3,6-7H2/t10?,11-,12+/m1/s1.
What are the key properties of (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol?
(1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol has a molecular weight of 190.24 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8bR)-2,3,4,4a-tetrahydro-1H-biphenylene-1,8b-diol is sourced from PubChem (CID 130927469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).