2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid

C20H22O4 — CID 140623403

IUPAC2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid
SMILESCC(C)(c1ccccc1)C(C)(c1ccccc1)C(C(=O)O)C(=O)O
InChIInChI=1S/C20H22O4/c1-19(2,14-10-6-4-7-11-14)20(3,15-12-8-5-9-13-15)16(17(21)22)18(23)24/h4-13,16H,1-3H3,(H,21,22)(H,23,24)
InChIKeyLVGCRUBRWPWPTQ-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.71
Rot. Bonds6

About 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid

2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid (PubChem CID 140623403) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid.

Molecular Properties

Compound Name2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid
PubChem CID140623403
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid
SMILESCC(C)(c1ccccc1)C(C)(c1ccccc1)C(C(=O)O)C(=O)O
InChIInChI=1S/C20H22O4/c1-19(2,14-10-6-4-7-11-14)20(3,15-12-8-5-9-13-15)16(17(21)22)18(23)24/h4-13,16H,1-3H3,(H,21,22)(H,23,24)
InChIKeyLVGCRUBRWPWPTQ-UHFFFAOYSA-N
XLogP3.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[dihydroxy(phenyl)methyl]propanedioic acid
CID 67817052
2-(1,1-diphenylethyl)propanedioyl dichloride
CID 139978063
2-(1,1-diphenylethyl)propanediamide
CID 175584560
hydrogen peroxide;2,3,3-trimethylbutan-2-ylbenzene
CID 23026515
2-tert-butyl-4-hydroxy-4-phenylpentanoic acid
CID 83139569
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
2-cyano-3,3-diphenylbutanoic acid
CID 19781187
2-benzoyl-3,3-dimethylbutanoic acid
CID 19596612
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
2,2-diethyl-3-methyl-3-phenylbutanoic acid
CID 68577866
3-methoxy-2-methoxycarbonyl-3,3-diphenylpropanoic acid
CID 163212872
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid?
The IUPAC name of 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid (CID 140623403) is 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid.
What is the SMILES notation for 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid?
The canonical SMILES for 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid is CC(C)(c1ccccc1)C(C)(c1ccccc1)C(C(=O)O)C(=O)O.
What is the InChIKey of 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid?
The InChIKey is LVGCRUBRWPWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-19(2,14-10-6-4-7-11-14)20(3,15-12-8-5-9-13-15)16(17(21)22)18(23)24/h4-13,16H,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid?
2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid has a molecular weight of 326.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,3-diphenylbutan-2-yl)propanedioic acid is sourced from PubChem (CID 140623403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).