methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate

C26H28O5 — CID 54687944

IUPACmethyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate
SMILESCOC(=O)CC(CCc1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C26H28O5/c1-30-21(27)16-20(13-12-17-8-4-2-5-9-17)25-24(28)23(26(29)31-25)22(19-14-15-19)18-10-6-3-7-11-18/h2-11,19-20,22,25,28H,12-16H2,1H3
InChIKeyGMVGWTPZMYHGOW-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.73
Rot. Bonds9

About methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate

methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate (PubChem CID 54687944) has the molecular formula C26H28O5 and a molecular weight of 420.51 g/mol. Its IUPAC name is methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate
PubChem CID54687944
Molecular FormulaC26H28O5
Molecular Weight420.51 g/mol
Exact Mass420.19
IUPAC Namemethyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate
SMILESCOC(=O)CC(CCc1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O
InChIInChI=1S/C26H28O5/c1-30-21(27)16-20(13-12-17-8-4-2-5-9-17)25-24(28)23(26(29)31-25)22(19-14-15-19)18-10-6-3-7-11-18/h2-11,19-20,22,25,28H,12-16H2,1H3
InChIKeyGMVGWTPZMYHGOW-UHFFFAOYSA-N
XLogP4.73
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate 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

4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-hydroxy-3-phenylpropyl)-2H-furan-5-one
CID 54687909
4-[cyclopropyl(phenyl)methyl]-3-hydroxy-2-(1-phenylpropyl)-2H-furan-5-one
CID 54687941
6-(1-chloropentan-3-yl)-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2,5-dione
CID 70121398
methyl (3S)-5-phenyl-3-[[(1R)-1-phenylethyl]amino]pentanoate
CID 70071367
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
methyl 3-(benzylamino)-3-cyclopropylpropanoate
CID 134161981
trimethyl 2-(2-phenylethyl)propane-1,1,3-tricarboxylate
CID 101233884
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
9-benzyl-3-[cyclopropyl(phenyl)methyl]-4-hydroxy-7,8,9,9a-tetrahydro-6H-cyclohepta[b]pyran-2-one
CID 139692352
methyl (2R)-2-hydroxy-4-phenylbutanoate
CID 10878023
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate?
The IUPAC name of methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate (CID 54687944) is methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate.
What is the SMILES notation for methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate?
The canonical SMILES for methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate is COC(=O)CC(CCc1ccccc1)C1OC(=O)C(C(c2ccccc2)C2CC2)=C1O.
What is the InChIKey of methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate?
The InChIKey is GMVGWTPZMYHGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O5/c1-30-21(27)16-20(13-12-17-8-4-2-5-9-17)25-24(28)23(26(29)31-25)22(19-14-15-19)18-10-6-3-7-11-18/h2-11,19-20,22,25,28H,12-16H2,1H3.
What are the key properties of methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate?
methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate has a molecular weight of 420.51 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[cyclopropyl(phenyl)methyl]-3-hydroxy-5-oxo-2H-furan-2-yl]-5-phenylpentanoate is sourced from PubChem (CID 54687944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).