2-[4-(2-methylpropyl)phenyl]acetic acid

C12H16O2 — CID 15250

IUPAC2-[4-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyCYWFCPPBTWOZSF-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.51
Rot. Bonds4

About 2-[4-(2-methylpropyl)phenyl]acetic acid

2-[4-(2-methylpropyl)phenyl]acetic acid (PubChem CID 15250) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]acetic acid
PubChem CID15250
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[4-(2-methylpropyl)phenyl]acetic acid
SMILESCC(C)Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyCYWFCPPBTWOZSF-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenylacetic Acid
CID 999
4-Phenylbutyric Acid
CID 4775
Ibuprofen, (+-)-
CID 3672
Phenylpyruvic acid
CID 997
Benzenepropanoic acid
CID 107
Felbinac
CID 3332
Flurbiprofen
CID 3394
Dexibuprofen
CID 39912
2-Phenylpropionic acid
CID 10296
Esflurbiprofen
CID 72099
Loxoprofen
CID 3965
Methyl phenylacetate
CID 7559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]acetic acid (CID 15250) is 2-[4-(2-methylpropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]acetic acid is CC(C)Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]acetic acid?
The InChIKey is CYWFCPPBTWOZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-(2-methylpropyl)phenyl]acetic acid?
2-[4-(2-methylpropyl)phenyl]acetic acid has a molecular weight of 192.26 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]acetic acid is sourced from PubChem (CID 15250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).