4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid

C15H22O2 — CID 117340908

IUPAC4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
SMILESCCc1ccc(C(C)C)c(CCCC(=O)O)c1
InChIInChI=1S/C15H22O2/c1-4-12-8-9-14(11(2)3)13(10-12)6-5-7-15(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyOLEBIXSUYYOBRD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.78
Rot. Bonds6

About 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid

4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid (PubChem CID 117340908) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
PubChem CID117340908
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid
SMILESCCc1ccc(C(C)C)c(CCCC(=O)O)c1
InChIInChI=1S/C15H22O2/c1-4-12-8-9-14(11(2)3)13(10-12)6-5-7-15(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)
InChIKeyOLEBIXSUYYOBRD-UHFFFAOYSA-N
XLogP3.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-octadecyl-4-propan-2-ylphenyl)acetic acid
CID 141255140
4-(2-propan-2-ylphenyl)butanoic acid
CID 58591852
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
2-[2-(1-bromo-2-oxopropyl)-4-ethylphenyl]acetic acid
CID 170837181
2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
6-[(5-ethyl-2-propylphenyl)methoxy]-6-oxohexanoic acid
CID 25114647
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
4-(2-hydroxy-5-propan-2-ylphenyl)butanoic acid
CID 83890595
4-(3-chloro-4-pentan-3-ylphenyl)butanoic acid
CID 117425620
3-amino-1-(5-ethyl-2-propan-2-ylphenyl)propan-1-one
CID 117313299
2-[2-(1-bromo-2-oxopropyl)-5-ethylphenyl]acetic acid
CID 170837279

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid (CID 117340908) is 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid is CCc1ccc(C(C)C)c(CCCC(=O)O)c1.
What is the InChIKey of 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid?
The InChIKey is OLEBIXSUYYOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-12-8-9-14(11(2)3)13(10-12)6-5-7-15(16)17/h8-11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid?
4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 117340908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).