3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one

C19H20O3 — CID 71380147

IUPAC3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
SMILESCC1C(=O)C(C)C(O)(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-13-17(20)14(2)19(22,16-11-7-4-8-12-16)18(13,21)15-9-5-3-6-10-15/h3-14,21-22H,1-2H3
InChIKeyHSTICGHMBHRSPC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.62
Rot. Bonds2

About 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one

3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one (PubChem CID 71380147) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one.

Molecular Properties

Compound Name3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
PubChem CID71380147
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one
SMILESCC1C(=O)C(C)C(O)(c2ccccc2)C1(O)c1ccccc1
InChIInChI=1S/C19H20O3/c1-13-17(20)14(2)19(22,16-11-7-4-8-12-16)18(13,21)15-9-5-3-6-10-15/h3-14,21-22H,1-2H3
InChIKeyHSTICGHMBHRSPC-UHFFFAOYSA-N
XLogP2.62
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The IUPAC name of 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one (CID 71380147) is 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one.
What is the SMILES notation for 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The canonical SMILES for 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one is CC1C(=O)C(C)C(O)(c2ccccc2)C1(O)c1ccccc1.
What is the InChIKey of 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
The InChIKey is HSTICGHMBHRSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-17(20)14(2)19(22,16-11-7-4-8-12-16)18(13,21)15-9-5-3-6-10-15/h3-14,21-22H,1-2H3.
What are the key properties of 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one?
3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one has a molecular weight of 296.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2,5-dimethyl-3,4-diphenylcyclopentan-1-one is sourced from PubChem (CID 71380147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).