6-methyl-2,2-diphenylheptanoic acid

C20H24O2 — CID 141362939

IUPAC6-methyl-2,2-diphenylheptanoic acid
SMILESCC(C)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-16(2)10-9-15-20(19(21)22,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,21,22)
InChIKeyDRLCSKHNGSSDSW-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.88
Rot. Bonds7

About 6-methyl-2,2-diphenylheptanoic acid

6-methyl-2,2-diphenylheptanoic acid (PubChem CID 141362939) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 6-methyl-2,2-diphenylheptanoic acid.

Molecular Properties

Compound Name6-methyl-2,2-diphenylheptanoic acid
PubChem CID141362939
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name6-methyl-2,2-diphenylheptanoic acid
SMILESCC(C)CCCC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O2/c1-16(2)10-9-15-20(19(21)22,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,21,22)
InChIKeyDRLCSKHNGSSDSW-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-benzyl-8-methyl-2-phenylnonanoic acid
CID 154389519
6-[(5-carboxy-5,5-diphenylpentyl)-[2-(dimethylamino)ethyl]amino]-2,2-diphenylhexanoic acid
CID 170636634
2-(methylamino)-4-(4-methylpentoxy)-2-phenylbutanoic acid
CID 116694125
hydroxy-(6-methyl-1,1-diphenylheptyl)-oxophosphanium
CID 172710427
2,2-diphenyl-3-phosphanylpropanoic acid
CID 21269236
2-(aminomethyl)-6-methyl-2-(3-methylphenyl)heptanoic acid
CID 106490782
3,7-dimethyloctan-3-ol;2-phenylbutan-2-ol
CID 159895945
benzoic acid;bis(5-methylhexanoic acid)
CID 68983380
6-oxo-5,5-diphenyloctanoic acid
CID 19981505

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,2-diphenylheptanoic acid?
The IUPAC name of 6-methyl-2,2-diphenylheptanoic acid (CID 141362939) is 6-methyl-2,2-diphenylheptanoic acid.
What is the SMILES notation for 6-methyl-2,2-diphenylheptanoic acid?
The canonical SMILES for 6-methyl-2,2-diphenylheptanoic acid is CC(C)CCCC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-methyl-2,2-diphenylheptanoic acid?
The InChIKey is DRLCSKHNGSSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-16(2)10-9-15-20(19(21)22,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,21,22).
What are the key properties of 6-methyl-2,2-diphenylheptanoic acid?
6-methyl-2,2-diphenylheptanoic acid has a molecular weight of 296.41 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,2-diphenylheptanoic acid is sourced from PubChem (CID 141362939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).