dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate

C25H30O5 — CID 102590745

IUPACdipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C
InChIInChI=1S/C25H30O5/c1-16(2)29-23(26)22-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)15-25(22,28)24(27)30-17(3)4/h5-14,16-17,20-22,28H,15H2,1-4H3/t20-,21+,22+,25+/m0/s1
InChIKeyPOFSPOFPJDIZOC-IYXIZZNPSA-N
MW410.51 g/mol
LogP4.21
Rot. Bonds6

About dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate

dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate (PubChem CID 102590745) has the molecular formula C25H30O5 and a molecular weight of 410.51 g/mol. Its IUPAC name is dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate
PubChem CID102590745
Molecular FormulaC25H30O5
Molecular Weight410.51 g/mol
Exact Mass410.21
IUPAC Namedipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate
SMILESCC(C)OC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C
InChIInChI=1S/C25H30O5/c1-16(2)29-23(26)22-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)15-25(22,28)24(27)30-17(3)4/h5-14,16-17,20-22,28H,15H2,1-4H3/t20-,21+,22+,25+/m0/s1
InChIKeyPOFSPOFPJDIZOC-IYXIZZNPSA-N
XLogP4.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroxy-2-[2-(4-phenylphenyl)ethyl]butanedioic acid
CID 171391405
Methyl 2-(3-hydroxy-5-oxo-4-phenyl-tetrahydrofuran-2-yl)-2-phenyl-acetate
CID 86576531
diethyl (2R,3S)-2-benzyl-3-hydroxybutanedioate
CID 10945833
Ethyl 5,5-bis(4-fluorophenyl)-2-hydroxy-4-oxopentanoate
CID 68535649
diethyl (3R)-2-[2-(2-fluoro-4-methylphenyl)prop-2-enyl]-3-hydroxybutanedioate
CID 163497071
diethyl (2S,3S)-2-[2-(2-fluoro-4-methylphenyl)prop-2-enyl]-3-hydroxybutanedioate
CID 163497072
8,8'-Dibenzyl-8-hydroxy-butyrolactone
CID 405096
Butanedioic acid, 2,3-dihydroxy-2,3-diphenyl-, diethyl ester
CID 10570359
9-((9H-fluoren-9-yl)methyl) 1-methyl (S,E)-2-hydroxy-2-((1R,2S)-1-hydroxy-2-methylbutyl)-6-methylenenon-3-enedioate
CID 11730706
ethyl (3aS,5R,6R,6aS)-3a-hydroxy-3,3-dimethyl-1-oxo-6-phenyl-4,5,6,6a-tetrahydrocyclopenta[c]furan-5-carboxylate
CID 25208652
tert-butyl (2R,3S)-3-[(1R)-1-hydroxy-3-phenylpropyl]oxirane-2-carboxylate
CID 53359266
Propan-2-yl 1-hydroxy-4-phenyl-2-prop-1-en-2-ylcyclopentane-1-carboxylate
CID 73806872

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate?
The IUPAC name of dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate (CID 102590745) is dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate is CC(C)OC(=O)[C@H]1[C@H](c2ccccc2)[C@H](c2ccccc2)C[C@]1(O)C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate?
The InChIKey is POFSPOFPJDIZOC-IYXIZZNPSA-N. The full InChI is InChI=1S/C25H30O5/c1-16(2)29-23(26)22-21(19-13-9-6-10-14-19)20(18-11-7-5-8-12-18)15-25(22,28)24(27)30-17(3)4/h5-14,16-17,20-22,28H,15H2,1-4H3/t20-,21+,22+,25+/m0/s1.
What are the key properties of dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate?
dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate has a molecular weight of 410.51 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (1R,2S,3R,4R)-1-hydroxy-3,4-diphenylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 102590745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).