(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol

C20H20O — CID 21120382

IUPAC(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1C2=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2/t16-,17+,18+/m0/s1
InChIKeyGVKPDAZZFVJVQF-RCCFBDPRSA-N
MW276.38 g/mol
LogP4.28
Rot. Bonds2

About (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol

(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol (PubChem CID 21120382) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
PubChem CID21120382
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1C[C@@H]2CC[C@H]1C2=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H20O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2/t16-,17+,18+/m0/s1
InChIKeyGVKPDAZZFVJVQF-RCCFBDPRSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-benzhydrylidenebicyclo[2.2.1]heptan-2-one
CID 13452439
2-benzhydrylidenecyclobutan-1-ol
CID 46210193
11-benzhydrylidenetricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 627836
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(2R,4S,7R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 130762493
(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 10397277
benzene;cyclopropylbenzene
CID 144638417
2-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-phenylmethylidene]adamantane
CID 11676033
2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol (CID 21120382) is (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol is O[C@@H]1C[C@@H]2CC[C@H]1C2=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol?
The InChIKey is GVKPDAZZFVJVQF-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H20O/c21-18-13-16-11-12-17(18)20(16)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-18,21H,11-13H2/t16-,17+,18+/m0/s1.
What are the key properties of (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol?
(1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-7-benzhydrylidenebicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 21120382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).