2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one

C12H14O3 — CID 154216754

IUPAC2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one
SMILESCC1C(O)C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C12H14O3/c1-7-9(8-5-3-2-4-6-8)11(14)12(15)10(7)13/h2-7,9-11,13-14H,1H3
InChIKeySTOPXHLRBACUTI-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.71
Rot. Bonds1

About 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one

2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one (PubChem CID 154216754) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one
PubChem CID154216754
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one
SMILESCC1C(O)C(=O)C(O)C1c1ccccc1
InChIInChI=1S/C12H14O3/c1-7-9(8-5-3-2-4-6-8)11(14)12(15)10(7)13/h2-7,9-11,13-14H,1H3
InChIKeySTOPXHLRBACUTI-UHFFFAOYSA-N
XLogP0.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one?
The IUPAC name of 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one (CID 154216754) is 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one.
What is the SMILES notation for 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one?
The canonical SMILES for 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one is CC1C(O)C(=O)C(O)C1c1ccccc1.
What is the InChIKey of 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one?
The InChIKey is STOPXHLRBACUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-7-9(8-5-3-2-4-6-8)11(14)12(15)10(7)13/h2-7,9-11,13-14H,1H3.
What are the key properties of 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one?
2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one has a molecular weight of 206.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-3-methyl-4-phenylcyclopentan-1-one is sourced from PubChem (CID 154216754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).