(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol

C12H14O2 — CID 11332959

IUPAC(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol
SMILESO[C@H]1[C@@H]2[C@H](C=C[C@H]1O)[C@@H]1C=CC=C[C@@H]12
InChIInChI=1S/C12H14O2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-14H/t7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyCLUOWLSUQNVIST-IXXAWXHISA-N
MW190.24 g/mol
LogP0.88
Rot. Bonds

About (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol

(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol (PubChem CID 11332959) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol.

Molecular Properties

Compound Name(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol
PubChem CID11332959
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol
SMILESO[C@H]1[C@@H]2[C@H](C=C[C@H]1O)[C@@H]1C=CC=C[C@@H]12
InChIInChI=1S/C12H14O2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-14H/t7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyCLUOWLSUQNVIST-IXXAWXHISA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R,3R,4R)-cyclohex-5-ene-1,2,3,4-tetrol
CID 10057625
tetracyclo[5.4.0.02,11.03,6]undeca-4,9-dien-8-ol
CID 130151122
cyclobut-3-ene-1,2-diol
CID 12513563
(2Z,4Z,6Z)-9-cycloprop-2-en-1-ylbicyclo[6.1.0]nona-2,4,6-triene
CID 121002324
(1R,2R,3S,4R)-3-aminocyclohex-5-ene-1,2,4-triol
CID 166449152
(1S,2S,3S,6S)-6-aminocyclohex-4-ene-1,2,3-triol
CID 10486977
9-methyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783453
(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
CID 124920621
[(1S,4S,5S,6S)-4,5,6-trihydroxycyclohex-2-en-1-yl]azanium chloride
CID 10943088
(2R,5R)-5-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 121320949
(1S,2S,3R,6S,7S)-tricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 99962235
(1S,2R,3S,4R,5R,7R,9S,11R,12S,15R)-8-hydroxyheptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784888

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol?
The IUPAC name of (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol (CID 11332959) is (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol.
What is the SMILES notation for (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol?
The canonical SMILES for (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol is O[C@H]1[C@@H]2[C@H](C=C[C@H]1O)[C@@H]1C=CC=C[C@@H]12.
What is the InChIKey of (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol?
The InChIKey is CLUOWLSUQNVIST-IXXAWXHISA-N. The full InChI is InChI=1S/C12H14O2/c13-10-6-5-9-7-3-1-2-4-8(7)11(9)12(10)14/h1-14H/t7-,8+,9-,10-,11+,12-/m1/s1.
What are the key properties of (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol?
(1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol has a molecular weight of 190.24 g/mol, XLogP of 0.88, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4aR,4bR,8aS,8bS)-1,2,4a,4b,8a,8b-hexahydrobiphenylene-1,2-diol is sourced from PubChem (CID 11332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).