[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone

C20H20O3 — CID 122230864

IUPAC[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone
SMILESC=C1C[C@@](C)(O)[C@](O)(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-14-13-19(2,22)20(23,16-11-7-4-8-12-16)17(14)18(21)15-9-5-3-6-10-15/h3-12,17,22-23H,1,13H2,2H3/t17?,19-,20+/m1/s1
InChIKeyPPJNMMRVQASYQB-GQXIWKRZSA-N
MW308.38 g/mol
LogP3.08
Rot. Bonds3

About [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone

[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone (PubChem CID 122230864) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone.

Molecular Properties

Compound Name[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone
PubChem CID122230864
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone
SMILESC=C1C[C@@](C)(O)[C@](O)(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C20H20O3/c1-14-13-19(2,22)20(23,16-11-7-4-8-12-16)17(14)18(21)15-9-5-3-6-10-15/h3-12,17,22-23H,1,13H2,2H3/t17?,19-,20+/m1/s1
InChIKeyPPJNMMRVQASYQB-GQXIWKRZSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone?
The IUPAC name of [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone (CID 122230864) is [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone.
What is the SMILES notation for [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone?
The canonical SMILES for [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone is C=C1C[C@@](C)(O)[C@](O)(c2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone?
The InChIKey is PPJNMMRVQASYQB-GQXIWKRZSA-N. The full InChI is InChI=1S/C20H20O3/c1-14-13-19(2,22)20(23,16-11-7-4-8-12-16)17(14)18(21)15-9-5-3-6-10-15/h3-12,17,22-23H,1,13H2,2H3/t17?,19-,20+/m1/s1.
What are the key properties of [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone?
[(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2,3-dihydroxy-3-methyl-5-methylidene-2-phenylcyclopentyl]-phenylmethanone is sourced from PubChem (CID 122230864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).