2,4-dimethyl-6-phenylhexanoic acid

C14H20O2 — CID 174481116

IUPAC2,4-dimethyl-6-phenylhexanoic acid
SMILESCC(CCc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16)
InChIKeyWXWBTWQGWJYVNS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.37
Rot. Bonds6

About 2,4-dimethyl-6-phenylhexanoic acid

2,4-dimethyl-6-phenylhexanoic acid (PubChem CID 174481116) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-phenylhexanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-phenylhexanoic acid
PubChem CID174481116
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,4-dimethyl-6-phenylhexanoic acid
SMILESCC(CCc1ccccc1)CC(C)C(=O)O
InChIInChI=1S/C14H20O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16)
InChIKeyWXWBTWQGWJYVNS-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-4-phenylbutanoic acid
CID 66896591
4-methoxycarbonyl-2-methyl-6-phenylhexanoic acid
CID 20548321
3-methyl-5-phenylpentanamide
CID 66761020
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517
2-(4-phenylbutan-2-ylamino)butanoic acid
CID 64669361
4-hydroxy-2-methyl-5-phenylpentanoic acid
CID 57472998
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
2-methyl-3-(2-phenylethylsulfanyl)propanoic acid
CID 64916880
(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-phenylhexanoic acid?
The IUPAC name of 2,4-dimethyl-6-phenylhexanoic acid (CID 174481116) is 2,4-dimethyl-6-phenylhexanoic acid.
What is the SMILES notation for 2,4-dimethyl-6-phenylhexanoic acid?
The canonical SMILES for 2,4-dimethyl-6-phenylhexanoic acid is CC(CCc1ccccc1)CC(C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-phenylhexanoic acid?
The InChIKey is WXWBTWQGWJYVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(10-12(2)14(15)16)8-9-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2,4-dimethyl-6-phenylhexanoic acid?
2,4-dimethyl-6-phenylhexanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-phenylhexanoic acid is sourced from PubChem (CID 174481116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).