3-methyl-3-phenylcyclopentan-1-one

C12H14O — CID 10080866

IUPAC3-methyl-3-phenylcyclopentan-1-one
SMILESCC1(c2ccccc2)CCC(=O)C1
InChIInChI=1S/C12H14O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRGOAWKBPBSKZML-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.70
Rot. Bonds1

About 3-methyl-3-phenylcyclopentan-1-one

3-methyl-3-phenylcyclopentan-1-one (PubChem CID 10080866) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-methyl-3-phenylcyclopentan-1-one.

Molecular Properties

Compound Name3-methyl-3-phenylcyclopentan-1-one
PubChem CID10080866
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name3-methyl-3-phenylcyclopentan-1-one
SMILESCC1(c2ccccc2)CCC(=O)C1
InChIInChI=1S/C12H14O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyRGOAWKBPBSKZML-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-phenylcyclopentan-1-one?
The IUPAC name of 3-methyl-3-phenylcyclopentan-1-one (CID 10080866) is 3-methyl-3-phenylcyclopentan-1-one.
What is the SMILES notation for 3-methyl-3-phenylcyclopentan-1-one?
The canonical SMILES for 3-methyl-3-phenylcyclopentan-1-one is CC1(c2ccccc2)CCC(=O)C1.
What is the InChIKey of 3-methyl-3-phenylcyclopentan-1-one?
The InChIKey is RGOAWKBPBSKZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-12(8-7-11(13)9-12)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 3-methyl-3-phenylcyclopentan-1-one?
3-methyl-3-phenylcyclopentan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-phenylcyclopentan-1-one is sourced from PubChem (CID 10080866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).