2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid

C15H22O2 — CID 137459361

IUPAC2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCc1cc(C(C)C)c(CC(=O)O)c(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-9(2)12-6-11(5)7-13(10(3)4)14(12)8-15(16)17/h6-7,9-10H,8H2,1-5H3,(H,16,17)
InChIKeyJBYFJDCBDGSBDR-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.87
Rot. Bonds4

About 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid

2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid (PubChem CID 137459361) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
PubChem CID137459361
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
SMILESCc1cc(C(C)C)c(CC(=O)O)c(C(C)C)c1
InChIInChI=1S/C15H22O2/c1-9(2)12-6-11(5)7-13(10(3)4)14(12)8-15(16)17/h6-7,9-10H,8H2,1-5H3,(H,16,17)
InChIKeyJBYFJDCBDGSBDR-UHFFFAOYSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-fluoro-3-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 145387602
2-(2-hydroxy-3-methyl-6-propan-2-ylphenyl)acetic acid
CID 84676017
2-[4-(2-cyclohexylethyl)-2,6-di(propan-2-yl)phenyl]acetic acid
CID 146570919
2-[2-chloro-6-(1-methoxyethoxy)-4-methylphenyl]acetic acid
CID 67171574
5-methyl-3-propan-2-ylphthalic acid
CID 121008576
2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 59141966
(2-fluoro-4-methyl-6-propan-2-ylphenyl)methanol
CID 155081921
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
CID 163479274
2-[4-cyano-3-fluoro-2,6-di(propan-2-yl)phenyl]acetic acid;ethane
CID 142522461
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
2-(1-methyl-6-oxo-8-propan-2-yl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-9-yl)acetic acid
CID 82624654

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid (CID 137459361) is 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid is Cc1cc(C(C)C)c(CC(=O)O)c(C(C)C)c1.
What is the InChIKey of 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
The InChIKey is JBYFJDCBDGSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9(2)12-6-11(5)7-13(10(3)4)14(12)8-15(16)17/h6-7,9-10H,8H2,1-5H3,(H,16,17).
What are the key properties of 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid?
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid has a molecular weight of 234.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid is sourced from PubChem (CID 137459361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).