trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one

C14H18O — CID 100973232

IUPACtrans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyQZWIOGAKYPWURK-ZIAGYGMSSA-N
MW202.30 g/mol
LogP3.41
Rot. Bonds2

About trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one

trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one (PubChem CID 100973232) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Nametrans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
PubChem CID100973232
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Nametrans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one
SMILESCC(C)[C@H]1CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C14H18O/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t13-,14-/m1/s1
InChIKeyQZWIOGAKYPWURK-ZIAGYGMSSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one?
The IUPAC name of trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one (CID 100973232) is trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one?
The canonical SMILES for trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one is CC(C)[C@H]1CC(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one?
The InChIKey is QZWIOGAKYPWURK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H18O/c1-10(2)13-8-12(15)9-14(13)11-6-4-3-5-7-11/h3-7,10,13-14H,8-9H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one?
trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(3S,4R)-3-phenyl-4-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 100973232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).