3-(3,5-dipropylphenyl)propanoic acid

C15H22O2 — CID 58963924

IUPAC3-(3,5-dipropylphenyl)propanoic acid
SMILESCCCc1cc(CCC)cc(CCC(=O)O)c1
InChIInChI=1S/C15H22O2/c1-3-5-12-9-13(6-4-2)11-14(10-12)7-8-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyAFAJHDNSACGJGD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds7

About 3-(3,5-dipropylphenyl)propanoic acid

3-(3,5-dipropylphenyl)propanoic acid (PubChem CID 58963924) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3,5-dipropylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dipropylphenyl)propanoic acid
PubChem CID58963924
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(3,5-dipropylphenyl)propanoic acid
SMILESCCCc1cc(CCC)cc(CCC(=O)O)c1
InChIInChI=1S/C15H22O2/c1-3-5-12-9-13(6-4-2)11-14(10-12)7-8-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyAFAJHDNSACGJGD-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethyl-3,5-dimethylphenyl)propanoic acid;yttrium
CID 59858101
3-(4-bromo-3,5-dimethylphenyl)propanoic acid
CID 84805494
ethane;3-(4-hydroxy-3,5-dimethylphenyl)propanoic acid
CID 144504832
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
(3,5-dipropylphenyl)methanol
CID 23592581
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773946
3-[3-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758615
3-(5-chlorofuran-3-yl)propanoic acid
CID 82653613
2-(3,5-dipentylphenyl)acetic acid
CID 78319081
2-[3-[3-(2-carboxyethyl)-5-pentylphenyl]-5-pentylphenyl]-3-hydroxypropanoic acid
CID 91504462
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dipropylphenyl)propanoic acid?
The IUPAC name of 3-(3,5-dipropylphenyl)propanoic acid (CID 58963924) is 3-(3,5-dipropylphenyl)propanoic acid.
What is the SMILES notation for 3-(3,5-dipropylphenyl)propanoic acid?
The canonical SMILES for 3-(3,5-dipropylphenyl)propanoic acid is CCCc1cc(CCC)cc(CCC(=O)O)c1.
What is the InChIKey of 3-(3,5-dipropylphenyl)propanoic acid?
The InChIKey is AFAJHDNSACGJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-5-12-9-13(6-4-2)11-14(10-12)7-8-15(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3,5-dipropylphenyl)propanoic acid?
3-(3,5-dipropylphenyl)propanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dipropylphenyl)propanoic acid is sourced from PubChem (CID 58963924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).