5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid

C17H26O2 — CID 112516981

IUPAC5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
SMILESCc1ccc(C(C)C)cc1C(CC(=O)O)CC(C)C
InChIInChI=1S/C17H26O2/c1-11(2)8-15(10-17(18)19)16-9-14(12(3)4)7-6-13(16)5/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,18,19)
InChIKeyFNGNPAZNPXKJDG-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.72
Rot. Bonds6

About 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid

5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid (PubChem CID 112516981) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
PubChem CID112516981
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid
SMILESCc1ccc(C(C)C)cc1C(CC(=O)O)CC(C)C
InChIInChI=1S/C17H26O2/c1-11(2)8-15(10-17(18)19)16-9-14(12(3)4)7-6-13(16)5/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,18,19)
InChIKeyFNGNPAZNPXKJDG-UHFFFAOYSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(dimethylamino)-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 112517187
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
3-(4-tert-butylphenyl)-5-methylhexanoic acid
CID 112501917
3-[5-(difluoromethyl)-2-methylphenyl]butanoic acid
CID 84691802
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylhexanoic acid
CID 82045596
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
1-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 116859807
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-[4-(2-methylpropoxy)-3-propan-2-ylphenyl]pentanoic acid
CID 83958259

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid?
The IUPAC name of 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid (CID 112516981) is 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid.
What is the SMILES notation for 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid?
The canonical SMILES for 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid is Cc1ccc(C(C)C)cc1C(CC(=O)O)CC(C)C.
What is the InChIKey of 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid?
The InChIKey is FNGNPAZNPXKJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-11(2)8-15(10-17(18)19)16-9-14(12(3)4)7-6-13(16)5/h6-7,9,11-12,15H,8,10H2,1-5H3,(H,18,19).
What are the key properties of 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid?
5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid has a molecular weight of 262.39 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-5-propan-2-ylphenyl)hexanoic acid is sourced from PubChem (CID 112516981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).