trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one

C20H22O2 — CID 67986808

IUPACtrans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)[C@H](O)C1
InChIInChI=1S/C20H22O2/c1-20(2,17-12-18(21)19(22)13-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyGXBMRTTXRLLQHR-QZTJIDSGSA-N
MW294.39 g/mol
LogP3.97
Rot. Bonds3

About trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one

trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one (PubChem CID 67986808) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one
PubChem CID67986808
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Nametrans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one
SMILESCC(C)(c1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)[C@H](O)C1
InChIInChI=1S/C20H22O2/c1-20(2,17-12-18(21)19(22)13-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18-/m1/s1
InChIKeyGXBMRTTXRLLQHR-QZTJIDSGSA-N
XLogP3.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one?
The IUPAC name of trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one (CID 67986808) is trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one.
What is the SMILES notation for trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one?
The canonical SMILES for trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one is CC(C)(c1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)[C@H](O)C1.
What is the InChIKey of trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one?
The InChIKey is GXBMRTTXRLLQHR-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H22O2/c1-20(2,17-12-18(21)19(22)13-17)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,17-18,21H,12-13H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one?
trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one has a molecular weight of 294.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-2-hydroxy-4-[2-(4-phenylphenyl)propan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 67986808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).