1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione

C22H30O3 — CID 130337664

IUPAC1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione
SMILESO=C(CCO)CC(=O)C1CCC(CCc2ccccc2C2CCC2)C1
InChIInChI=1S/C22H30O3/c23-13-12-20(24)15-22(25)19-11-9-16(14-19)8-10-18-4-1-2-7-21(18)17-5-3-6-17/h1-2,4,7,16-17,19,23H,3,5-6,8-15H2
InChIKeyPDSSBHPFNUAEEL-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.21
Rot. Bonds9

About 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione

1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione (PubChem CID 130337664) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione.

Molecular Properties

Compound Name1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione
PubChem CID130337664
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione
SMILESO=C(CCO)CC(=O)C1CCC(CCc2ccccc2C2CCC2)C1
InChIInChI=1S/C22H30O3/c23-13-12-20(24)15-22(25)19-11-9-16(14-19)8-10-18-4-1-2-7-21(18)17-5-3-6-17/h1-2,4,7,16-17,19,23H,3,5-6,8-15H2
InChIKeyPDSSBHPFNUAEEL-UHFFFAOYSA-N
XLogP4.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione 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

3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
CID 114605935
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-(2-cyclopentylphenyl)acetamide
CID 68862878
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
1-(2-bromoethyl)-2-cyclobutylbenzene
CID 114605787
1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]cyclopentyl]-2-methylhexane-1,3-dione
CID 130328367
1-[1-[3-[2-(2-cyclopentyl-4-fluorophenyl)ethyl]cyclopentanecarbonyl]cyclobutyl]butan-1-one
CID 130328370
(2-cyclobutylphenyl)-(3-ethylcyclohexyl)methanone
CID 114601910
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
CID 166408399
4-[2-(2-hydroxyethyl)phenyl]piperidine-1-carboxylic acid
CID 69142231
2-(2-cycloheptylphenyl)ethanamine
CID 83836329

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione?
The IUPAC name of 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione (CID 130337664) is 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione.
What is the SMILES notation for 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione?
The canonical SMILES for 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione is O=C(CCO)CC(=O)C1CCC(CCc2ccccc2C2CCC2)C1.
What is the InChIKey of 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione?
The InChIKey is PDSSBHPFNUAEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c23-13-12-20(24)15-22(25)19-11-9-16(14-19)8-10-18-4-1-2-7-21(18)17-5-3-6-17/h1-2,4,7,16-17,19,23H,3,5-6,8-15H2.
What are the key properties of 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione?
1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione has a molecular weight of 342.48 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(2-cyclobutylphenyl)ethyl]cyclopentyl]-5-hydroxypentane-1,3-dione is sourced from PubChem (CID 130337664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).