cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate

C20H20O5 — CID 134873839

IUPACcis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)C(=O)C(O)(OC)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O5/c1-24-18(22)20(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-19(23,25-2)17(20)21/h3-12,16,23H,13H2,1-2H3/t16-,19?,20+/m1/s1
InChIKeyRSAZAZHPOKFVGE-VBHUFULTSA-N
MW340.38 g/mol
LogP2.19
Rot. Bonds4

About cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate

cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate (PubChem CID 134873839) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate
PubChem CID134873839
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Namecis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@]1(c2ccccc2)C(=O)C(O)(OC)C[C@@H]1c1ccccc1
InChIInChI=1S/C20H20O5/c1-24-18(22)20(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-19(23,25-2)17(20)21/h3-12,16,23H,13H2,1-2H3/t16-,19?,20+/m1/s1
InChIKeyRSAZAZHPOKFVGE-VBHUFULTSA-N
XLogP2.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R,5S)-3-hydroxy-4-methyl-2-oxo-1,5-diphenylcyclopent-3-ene-1-carboxylate
CID 102487170
methyl (1R,5R)-3-hydroxy-2-oxo-1,5-diphenylcyclopent-3-ene-1-carboxylate
CID 15146740
methyl (1S,2S,4S)-4-hydroxy-2-phenyl-4-(1-phenylethenyl)cyclopentane-1-carboxylate
CID 134947668
Methyl 3-hydroxy-1,4-dimethyl-2-oxo-5-phenylcyclopentane-1-carboxylate
CID 134966986
ethyl (1R,5R)-4-ethoxy-3-hydroxy-2-oxo-1,5-diphenylcyclopent-3-ene-1-carboxylate
CID 135053840
1-Acetyl-3-methoxy-2-(2,4,6-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 18977506
2-Hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid
CID 54144825
methyl (E)-2-[(1R,2S,3R)-3-hydroxy-2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-5-oxocyclopentyl]hept-5-enoate
CID 69351671
methyl 2-[(1R,2S,3R)-3-hydroxy-2-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-5-oxocyclopentyl]hept-5-enoate
CID 69351674
2-(2-Methoxyacetyl)-5,5-diphenylpentanoic acid
CID 69429170
4-Methoxy-3-oxo-7,7-diphenylheptanoic acid
CID 69429173
(5S)-3-[(2R)-2-hydroxy-3-phenylpropanoyl]-5-(2-phenylethyl)oxolane-2,4-dione
CID 90953314

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate (CID 134873839) is cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate is COC(=O)[C@]1(c2ccccc2)C(=O)C(O)(OC)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate?
The InChIKey is RSAZAZHPOKFVGE-VBHUFULTSA-N. The full InChI is InChI=1S/C20H20O5/c1-24-18(22)20(15-11-7-4-8-12-15)16(14-9-5-3-6-10-14)13-19(23,25-2)17(20)21/h3-12,16,23H,13H2,1-2H3/t16-,19?,20+/m1/s1.
What are the key properties of cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate?
cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,5R)-3-hydroxy-3-methoxy-2-oxo-1,5-diphenylcyclopentane-1-carboxylate is sourced from PubChem (CID 134873839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).