(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol

C12H14O2 — CID 131886728

IUPAC(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
SMILESOc1ccc2c(c1)[C@@H]1CCCC[C@]21O
InChIInChI=1S/C12H14O2/c13-8-4-5-11-9(7-8)10-3-1-2-6-12(10,11)14/h4-5,7,10,13-14H,1-3,6H2/t10-,12+/m0/s1
InChIKeyPHOLKMARYPEOEC-CMPLNLGQSA-N
MW190.24 g/mol
LogP2.25
Rot. Bonds

About (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol

(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol (PubChem CID 131886728) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol.

Molecular Properties

Compound Name(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
PubChem CID131886728
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol
SMILESOc1ccc2c(c1)[C@@H]1CCCC[C@]21O
InChIInChI=1S/C12H14O2/c13-8-4-5-11-9(7-8)10-3-1-2-6-12(10,11)14/h4-5,7,10,13-14H,1-3,6H2/t10-,12+/m0/s1
InChIKeyPHOLKMARYPEOEC-CMPLNLGQSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-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
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
6-aminospiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopentane]-2-ol
CID 115057087
4b-[(4-hydroxyphenyl)methyl]-6,7,8,8a,9,10-hexahydro-5H-phenanthren-2-ol
CID 22747819
(5aR,9aS)-5a-morpholin-4-ium-4-yl-7,8,9,9a-tetrahydro-6H-dibenzofuran-2-ol
CID 6954366
(5aS,10aS)-5a-morpholin-4-yl-6,7,8,9,10,10a-hexahydrocyclohepta[b][1]benzofuran-2-ol
CID 95561849
1-(2,5-dimethylphenyl)-2-phenylcyclohexan-1-ol
CID 63407170
3-[2-(2-aminopropan-2-yl)-1-hydroxycyclohexyl]phenol
CID 21121346
(4bR,8aR)-8a-morpholin-4-yl-4b,5,6,7,8,9-hexahydrocarbazol-3-ol
CID 930010
4-(2,2-difluorocyclohexyl)phenol
CID 83855789
4-bromo-3-(1-hydroxycyclopentyl)phenol
CID 117104137
3-[(1S,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
CID 40616047

Frequently Asked Questions

What is the IUPAC name of (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol?
The IUPAC name of (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol (CID 131886728) is (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol.
What is the SMILES notation for (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol?
The canonical SMILES for (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol is Oc1ccc2c(c1)[C@@H]1CCCC[C@]21O.
What is the InChIKey of (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol?
The InChIKey is PHOLKMARYPEOEC-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-4-5-11-9(7-8)10-3-1-2-6-12(10,11)14/h4-5,7,10,13-14H,1-3,6H2/t10-,12+/m0/s1.
What are the key properties of (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol?
(4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol has a molecular weight of 190.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,8aS)-6,7,8,8a-tetrahydro-5H-biphenylene-2,4b-diol is sourced from PubChem (CID 131886728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).