(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol

C12H14O — CID 71407755

IUPAC(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol
SMILESOc1cccc2c1[C@H]1CCCC[C@@H]21
InChIInChI=1S/C12H14O/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h3,6-9,13H,1-2,4-5H2/t8-,9+/m1/s1
InChIKeyLHKMENBIIKZZPO-BDAKNGLRSA-N
MW174.24 g/mol
LogP3.15
Rot. Bonds

About (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol

(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol (PubChem CID 71407755) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol.

Molecular Properties

Compound Name(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol
PubChem CID71407755
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol
SMILESOc1cccc2c1[C@H]1CCCC[C@@H]21
InChIInChI=1S/C12H14O/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h3,6-9,13H,1-2,4-5H2/t8-,9+/m1/s1
InChIKeyLHKMENBIIKZZPO-BDAKNGLRSA-N
XLogP3.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol?
The IUPAC name of (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol (CID 71407755) is (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol.
What is the SMILES notation for (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol?
The canonical SMILES for (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol is Oc1cccc2c1[C@H]1CCCC[C@@H]21.
What is the InChIKey of (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol?
The InChIKey is LHKMENBIIKZZPO-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H14O/c13-11-7-3-6-10-8-4-1-2-5-9(8)12(10)11/h3,6-9,13H,1-2,4-5H2/t8-,9+/m1/s1.
What are the key properties of (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol?
(4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol has a molecular weight of 174.24 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bR,8aS)-4b,5,6,7,8,8a-hexahydrobiphenylen-1-ol is sourced from PubChem (CID 71407755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).