4-hydroxy-3,5-di(propan-2-yl)benzoic acid

C13H18O3 — CID 25972

IUPAC4-hydroxy-3,5-di(propan-2-yl)benzoic acid
SMILESCC(C)c1cc(C(=O)O)cc(C(C)C)c1O
InChIInChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)
InChIKeyWYAZPCLFZZTVSP-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.34
Rot. Bonds3

About 4-hydroxy-3,5-di(propan-2-yl)benzoic acid

4-hydroxy-3,5-di(propan-2-yl)benzoic acid (PubChem CID 25972) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-hydroxy-3,5-di(propan-2-yl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-di(propan-2-yl)benzoic acid
PubChem CID25972
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name4-hydroxy-3,5-di(propan-2-yl)benzoic acid
SMILESCC(C)c1cc(C(=O)O)cc(C(C)C)c1O
InChIInChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16)
InChIKeyWYAZPCLFZZTVSP-UHFFFAOYSA-N
XLogP3.34
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The IUPAC name of 4-hydroxy-3,5-di(propan-2-yl)benzoic acid (CID 25972) is 4-hydroxy-3,5-di(propan-2-yl)benzoic acid.
What is the SMILES notation for 4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The canonical SMILES for 4-hydroxy-3,5-di(propan-2-yl)benzoic acid is CC(C)c1cc(C(=O)O)cc(C(C)C)c1O.
What is the InChIKey of 4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The InChIKey is WYAZPCLFZZTVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14/h5-8,14H,1-4H3,(H,15,16).
What are the key properties of 4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
4-hydroxy-3,5-di(propan-2-yl)benzoic acid has a molecular weight of 222.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-di(propan-2-yl)benzoic acid is sourced from PubChem (CID 25972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).