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

C20H24O6 — CID 159385811

IUPAC4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
SMILESCC(C)c1cc(C(=O)O)cc(C(C)C)c1O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C13H18O3.C7H6O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14;8-6-3-1-5(2-4-6)7(9)10/h5-8,14H,1-4H3,(H,15,16);1-4,8H,(H,9,10)
InChIKeyLLMBBFZJNCZLGR-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.43
Rot. Bonds4

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

4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid (PubChem CID 159385811) has the molecular formula C20H24O6 and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid.

Molecular Properties

Compound Name4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
PubChem CID159385811
Molecular FormulaC20H24O6
Molecular Weight360.41 g/mol
Exact Mass360.16
IUPAC Name4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
SMILESCC(C)c1cc(C(=O)O)cc(C(C)C)c1O.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C13H18O3.C7H6O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14;8-6-3-1-5(2-4-6)7(9)10/h5-8,14H,1-4H3,(H,15,16);1-4,8H,(H,9,10)
InChIKeyLLMBBFZJNCZLGR-UHFFFAOYSA-N
XLogP4.43
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carboxyphenoxy)benzoic acid;3,5-di(propan-2-yl)-4-propan-2-yloxybenzoic acid;4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid;4-hydroxy-3-propan-2-ylbenzoic acid
CID 160533679
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
sodium;acetic acid;4-hydroxybenzoic acid;acetate
CID 175708691
acetamide;4-hydroxybenzoic acid
CID 67150268
ethane;4-(4-hydroxyphenyl)benzoic acid
CID 91010322

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The IUPAC name of 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid (CID 159385811) is 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid.
What is the SMILES notation for 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The canonical SMILES for 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid is CC(C)c1cc(C(=O)O)cc(C(C)C)c1O.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
The InChIKey is LLMBBFZJNCZLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3.C7H6O3/c1-7(2)10-5-9(13(15)16)6-11(8(3)4)12(10)14;8-6-3-1-5(2-4-6)7(9)10/h5-8,14H,1-4H3,(H,15,16);1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid?
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid has a molecular weight of 360.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid is sourced from PubChem (CID 159385811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).