2-(4-butyl-2-methylphenyl)acetic acid

C13H18O2 — CID 154171970

IUPAC2-(4-butyl-2-methylphenyl)acetic acid
SMILESCCCCc1ccc(CC(=O)O)c(C)c1
InChIInChI=1S/C13H18O2/c1-3-4-5-11-6-7-12(9-13(14)15)10(2)8-11/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeySFCBVHHEXODMDU-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.96
Rot. Bonds5

About 2-(4-butyl-2-methylphenyl)acetic acid

2-(4-butyl-2-methylphenyl)acetic acid (PubChem CID 154171970) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(4-butyl-2-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-butyl-2-methylphenyl)acetic acid
PubChem CID154171970
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(4-butyl-2-methylphenyl)acetic acid
SMILESCCCCc1ccc(CC(=O)O)c(C)c1
InChIInChI=1S/C13H18O2/c1-3-4-5-11-6-7-12(9-13(14)15)10(2)8-11/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeySFCBVHHEXODMDU-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(2-bromoethyl)-2-methylphenyl]acetic acid
CID 176900475
1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
CID 142206830
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
4-butyl-2-methylphenol
CID 10964856
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
4-hexadecyl-2-methylbenzoic acid
CID 57019926
2-[2-fluoro-4-(2-methyl-4-propylphenyl)phenyl]acetic acid
CID 143366044
N-(4-butyl-2-methylphenyl)-2-methylpropanamide
CID 86731579
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
ethyl 2,5-dibutylbenzoate
CID 166059942
2-(3,5-dipentylphenyl)acetic acid
CID 78319081
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2-methylphenyl)acetic acid?
The IUPAC name of 2-(4-butyl-2-methylphenyl)acetic acid (CID 154171970) is 2-(4-butyl-2-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-butyl-2-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-butyl-2-methylphenyl)acetic acid is CCCCc1ccc(CC(=O)O)c(C)c1.
What is the InChIKey of 2-(4-butyl-2-methylphenyl)acetic acid?
The InChIKey is SFCBVHHEXODMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-5-11-6-7-12(9-13(14)15)10(2)8-11/h6-8H,3-5,9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-butyl-2-methylphenyl)acetic acid?
2-(4-butyl-2-methylphenyl)acetic acid has a molecular weight of 206.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2-methylphenyl)acetic acid is sourced from PubChem (CID 154171970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).