2-tert-butyl-4-propan-2-ylbenzoic acid

C14H20O2 — CID 70422407

IUPAC2-tert-butyl-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-9(2)10-6-7-11(13(15)16)12(8-10)14(3,4)5/h6-9H,1-5H3,(H,15,16)
InChIKeyFZBAQGGZDFAPEL-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.81
Rot. Bonds2

About 2-tert-butyl-4-propan-2-ylbenzoic acid

2-tert-butyl-4-propan-2-ylbenzoic acid (PubChem CID 70422407) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-tert-butyl-4-propan-2-ylbenzoic acid.

Molecular Properties

Compound Name2-tert-butyl-4-propan-2-ylbenzoic acid
PubChem CID70422407
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-tert-butyl-4-propan-2-ylbenzoic acid
SMILESCC(C)c1ccc(C(=O)O)c(C(C)(C)C)c1
InChIInChI=1S/C14H20O2/c1-9(2)10-6-7-11(13(15)16)12(8-10)14(3,4)5/h6-9H,1-5H3,(H,15,16)
InChIKeyFZBAQGGZDFAPEL-UHFFFAOYSA-N
XLogP3.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1R)-1-aminoethyl]-2-tert-butylbenzoic acid
CID 67395946
2-methyl-4-propan-2-ylbenzoic acid
CID 22444417
2-iodo-4-propan-2-ylbenzoic acid
CID 131312155
2-tert-butyl-4-propan-2-ylphenol
CID 24240
2-hydroxy-5-propan-2-ylbenzoic acid
CID 12540049
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
copper;2-nitro-4-propan-2-ylbenzoic acid
CID 175716699
3-hydroxy-3-(2-methyl-5-propan-2-ylphenyl)butanoic acid
CID 82476446
2-(methylamino)-5-propan-2-ylbenzoic acid
CID 130893256
2-hydroxy-5-[tris(4-propan-2-ylphenyl)methyl]benzoic acid
CID 139751321
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-propan-2-ylbenzoic acid?
The IUPAC name of 2-tert-butyl-4-propan-2-ylbenzoic acid (CID 70422407) is 2-tert-butyl-4-propan-2-ylbenzoic acid.
What is the SMILES notation for 2-tert-butyl-4-propan-2-ylbenzoic acid?
The canonical SMILES for 2-tert-butyl-4-propan-2-ylbenzoic acid is CC(C)c1ccc(C(=O)O)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-4-propan-2-ylbenzoic acid?
The InChIKey is FZBAQGGZDFAPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)10-6-7-11(13(15)16)12(8-10)14(3,4)5/h6-9H,1-5H3,(H,15,16).
What are the key properties of 2-tert-butyl-4-propan-2-ylbenzoic acid?
2-tert-butyl-4-propan-2-ylbenzoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-propan-2-ylbenzoic acid is sourced from PubChem (CID 70422407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).