5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid

C20H22O6 — CID 151104879

IUPAC5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid
SMILESCC(C)Oc1cccc(OC(C)C)c1C(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C20H22O6/c1-11(2)25-16-6-5-7-17(26-12(3)4)18(16)19(22)13-8-9-15(21)14(10-13)20(23)24/h5-12,21H,1-4H3,(H,23,24)
InChIKeyMOWXNVRYKYJAKG-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.90
Rot. Bonds7

About 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid

5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid (PubChem CID 151104879) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid
PubChem CID151104879
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid
SMILESCC(C)Oc1cccc(OC(C)C)c1C(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C20H22O6/c1-11(2)25-16-6-5-7-17(26-12(3)4)18(16)19(22)13-8-9-15(21)14(10-13)20(23)24/h5-12,21H,1-4H3,(H,23,24)
InChIKeyMOWXNVRYKYJAKG-UHFFFAOYSA-N
XLogP3.90
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid?
The IUPAC name of 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid (CID 151104879) is 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid is CC(C)Oc1cccc(OC(C)C)c1C(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid?
The InChIKey is MOWXNVRYKYJAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-11(2)25-16-6-5-7-17(26-12(3)4)18(16)19(22)13-8-9-15(21)14(10-13)20(23)24/h5-12,21H,1-4H3,(H,23,24).
What are the key properties of 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid?
5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid has a molecular weight of 358.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-di(propan-2-yloxy)benzoyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 151104879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).