5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid

C15H20O3 — CID 146004431

IUPAC5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCc1ccccc1C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H20O3/c1-4-11-7-5-6-8-12(11)13(16)9-15(2,3)10-14(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyXDRDYANXKDMRDD-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.32
Rot. Bonds6

About 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid

5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 146004431) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID146004431
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid
SMILESCCc1ccccc1C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C15H20O3/c1-4-11-7-5-6-8-12(11)13(16)9-15(2,3)10-14(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyXDRDYANXKDMRDD-UHFFFAOYSA-N
XLogP3.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid 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-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylacetic acid
CID 146004427
5-(1H-indol-3-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 55156722
2-(2-ethylphenyl)-2-oxoacetic acid;hydrate
CID 174608087
2-ethylbenzoic acid;tungsten
CID 23518478
2-(4-tert-butylphenyl)-1-(2-ethylphenyl)ethanone
CID 114967852
1-(2-ethylphenyl)-2-[2-(2-ethylphenyl)-2-oxoethyl]sulfanylcarbonylsulfanylethanone
CID 155317146
1-(2-ethylphenyl)-2,2-dimethylbutan-1-one
CID 146006575
3,3-dimethyl-5-oxo-5-(2-propylanilino)pentanoic acid
CID 62935245
1-(2-ethylphenyl)pentan-1-one;pentane
CID 142147591
carbonic acid;1,2-diethylbenzene
CID 89388803
4-chloro-1-(2-ethylphenyl)butan-1-one
CID 14910275
azane;2-(2-ethylphenyl)acetic acid
CID 70384426

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid (CID 146004431) is 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid is CCc1ccccc1C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is XDRDYANXKDMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-4-11-7-5-6-8-12(11)13(16)9-15(2,3)10-14(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid?
5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 146004431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).