8-(2-methylphenyl)-8-oxooctanoic acid

C15H20O3 — CID 24726897

IUPAC8-(2-methylphenyl)-8-oxooctanoic acid
SMILESCc1ccccc1C(=O)CCCCCCC(=O)O
InChIInChI=1S/C15H20O3/c1-12-8-6-7-9-13(12)14(16)10-4-2-3-5-11-15(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRUCMYNVWEBCTME-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.60
Rot. Bonds8

About 8-(2-methylphenyl)-8-oxooctanoic acid

8-(2-methylphenyl)-8-oxooctanoic acid (PubChem CID 24726897) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 8-(2-methylphenyl)-8-oxooctanoic acid.

Molecular Properties

Compound Name8-(2-methylphenyl)-8-oxooctanoic acid
PubChem CID24726897
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name8-(2-methylphenyl)-8-oxooctanoic acid
SMILESCc1ccccc1C(=O)CCCCCCC(=O)O
InChIInChI=1S/C15H20O3/c1-12-8-6-7-9-13(12)14(16)10-4-2-3-5-11-15(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRUCMYNVWEBCTME-UHFFFAOYSA-N
XLogP3.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-(2-methylphenyl)-8-oxooctanoic 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

1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
7-(2-iodophenyl)-7-oxoheptanoic acid
CID 24727011
5-methyl-1-(2-methylphenyl)hexan-1-one
CID 83157538
decanedioic acid;phthalic acid
CID 67564124
cobalt;octanoic acid;1,2-xylene
CID 175075701
decanedioic acid;1,2-xylene;1,3-xylene
CID 175017838
pentanedioic acid;toluene
CID 159822689
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylphenyl)-8-oxooctanoic acid?
The IUPAC name of 8-(2-methylphenyl)-8-oxooctanoic acid (CID 24726897) is 8-(2-methylphenyl)-8-oxooctanoic acid.
What is the SMILES notation for 8-(2-methylphenyl)-8-oxooctanoic acid?
The canonical SMILES for 8-(2-methylphenyl)-8-oxooctanoic acid is Cc1ccccc1C(=O)CCCCCCC(=O)O.
What is the InChIKey of 8-(2-methylphenyl)-8-oxooctanoic acid?
The InChIKey is RUCMYNVWEBCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-8-6-7-9-13(12)14(16)10-4-2-3-5-11-15(17)18/h6-9H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 8-(2-methylphenyl)-8-oxooctanoic acid?
8-(2-methylphenyl)-8-oxooctanoic acid has a molecular weight of 248.32 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylphenyl)-8-oxooctanoic acid is sourced from PubChem (CID 24726897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).