(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol

C20H22O2 — CID 102394801

IUPAC(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
SMILESO[C@H]1C[C@@H]2CC[C@H]1[C@@](O)(c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C20H22O2/c21-19-12-14-6-11-18(19)20(22,13-14)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-5,7-10,14,18-19,21-22H,6,11-13H2/t14-,18+,19-,20-/m0/s1
InChIKeyMHRTZFHZLFMIHL-WBCYEJBOSA-N
MW294.39 g/mol
LogP3.72
Rot. Bonds2

About (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol

(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol (PubChem CID 102394801) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol.

Molecular Properties

Compound Name(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
PubChem CID102394801
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol
SMILESO[C@H]1C[C@@H]2CC[C@H]1[C@@](O)(c1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C20H22O2/c21-19-12-14-6-11-18(19)20(22,13-14)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-5,7-10,14,18-19,21-22H,6,11-13H2/t14-,18+,19-,20-/m0/s1
InChIKeyMHRTZFHZLFMIHL-WBCYEJBOSA-N
XLogP3.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol?
The IUPAC name of (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol (CID 102394801) is (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol.
What is the SMILES notation for (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol?
The canonical SMILES for (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol is O[C@H]1C[C@@H]2CC[C@H]1[C@@](O)(c1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol?
The InChIKey is MHRTZFHZLFMIHL-WBCYEJBOSA-N. The full InChI is InChI=1S/C20H22O2/c21-19-12-14-6-11-18(19)20(22,13-14)17-9-7-16(8-10-17)15-4-2-1-3-5-15/h1-5,7-10,14,18-19,21-22H,6,11-13H2/t14-,18+,19-,20-/m0/s1.
What are the key properties of (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol?
(1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol has a molecular weight of 294.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,6S)-2-(4-phenylphenyl)bicyclo[2.2.2]octane-2,6-diol is sourced from PubChem (CID 102394801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).