(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

C22H24O2 — CID 100930732

IUPAC(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C(=O)C2
InChIInChI=1S/C22H24O2/c1-20(2)18-13-14-21(20,19(23)15-18)22(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,24H,13-15H2,1-2H3/t18-,21-/m1/s1
InChIKeyJDDMEQWGUNGXJH-WIYYLYMNSA-N
MW320.43 g/mol
LogP4.32
Rot. Bonds3

About (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one

(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 100930732) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
PubChem CID100930732
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SMILESCC1(C)[C@@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C(=O)C2
InChIInChI=1S/C22H24O2/c1-20(2)18-13-14-21(20,19(23)15-18)22(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,24H,13-15H2,1-2H3/t18-,21-/m1/s1
InChIKeyJDDMEQWGUNGXJH-WIYYLYMNSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one (CID 100930732) is (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one is CC1(C)[C@@H]2CC[C@@]1(C(O)(c1ccccc1)c1ccccc1)C(=O)C2.
What is the InChIKey of (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is JDDMEQWGUNGXJH-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H24O2/c1-20(2)18-13-14-21(20,19(23)15-18)22(24,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18,24H,13-15H2,1-2H3/t18-,21-/m1/s1.
What are the key properties of (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one?
(1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 320.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-1-[hydroxy(diphenyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 100930732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).