7-(3,5-dimethylphenyl)-5-methylheptanoic acid

C16H24O2 — CID 174699459

IUPAC7-(3,5-dimethylphenyl)-5-methylheptanoic acid
SMILESCc1cc(C)cc(CCC(C)CCCC(=O)O)c1
InChIInChI=1S/C16H24O2/c1-12(5-4-6-16(17)18)7-8-15-10-13(2)9-14(3)11-15/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNEEQGGMCXFWHAV-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.13
Rot. Bonds7

About 7-(3,5-dimethylphenyl)-5-methylheptanoic acid

7-(3,5-dimethylphenyl)-5-methylheptanoic acid (PubChem CID 174699459) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-5-methylheptanoic acid.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-5-methylheptanoic acid
PubChem CID174699459
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name7-(3,5-dimethylphenyl)-5-methylheptanoic acid
SMILESCc1cc(C)cc(CCC(C)CCCC(=O)O)c1
InChIInChI=1S/C16H24O2/c1-12(5-4-6-16(17)18)7-8-15-10-13(2)9-14(3)11-15/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyNEEQGGMCXFWHAV-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-tert-butyl-5-methylphenyl)butanoic acid
CID 56976485
19-methylheptatriacontanedioic acid
CID 141009772
6-[3-(3,5-dimethylphenyl)propanoylamino]hexanoic acid
CID 120522582
2-[4-(3,5-dimethylphenyl)-2-methylbutoxy]ethanol
CID 22374449
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
8,8,8-trifluoro-5-methyloctanoic acid
CID 87995359
6-amino-1-(3,5-dimethylphenyl)heptan-2-one
CID 116609997
4-methylhexadecanedioic acid;dihydrochloride
CID 89463142
12,17-dimethyloctadecanoic acid
CID 123475021
4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
4-[(3,5-dimethylbenzoyl)-propan-2-ylamino]butanoic acid
CID 60830753
4-(3-hydroxy-4,5-dimethylphenyl)butanoic acid
CID 117297452

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-5-methylheptanoic acid?
The IUPAC name of 7-(3,5-dimethylphenyl)-5-methylheptanoic acid (CID 174699459) is 7-(3,5-dimethylphenyl)-5-methylheptanoic acid.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-5-methylheptanoic acid?
The canonical SMILES for 7-(3,5-dimethylphenyl)-5-methylheptanoic acid is Cc1cc(C)cc(CCC(C)CCCC(=O)O)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-5-methylheptanoic acid?
The InChIKey is NEEQGGMCXFWHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-12(5-4-6-16(17)18)7-8-15-10-13(2)9-14(3)11-15/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 7-(3,5-dimethylphenyl)-5-methylheptanoic acid?
7-(3,5-dimethylphenyl)-5-methylheptanoic acid has a molecular weight of 248.37 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-5-methylheptanoic acid is sourced from PubChem (CID 174699459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).