4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid

C19H20O5 — CID 15682696

IUPAC4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
SMILESCCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C19H20O5/c1-3-4-17-14(7-10-16(12(2)20)18(17)21)11-24-15-8-5-13(6-9-15)19(22)23/h5-10,21H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyUIXCPOKUKJARLI-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.82
Rot. Bonds7

About 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid

4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid (PubChem CID 15682696) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
PubChem CID15682696
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
SMILESCCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O
InChIInChI=1S/C19H20O5/c1-3-4-17-14(7-10-16(12(2)20)18(17)21)11-24-15-8-5-13(6-9-15)19(22)23/h5-10,21H,3-4,11H2,1-2H3,(H,22,23)
InChIKeyUIXCPOKUKJARLI-UHFFFAOYSA-N
XLogP3.82
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The IUPAC name of 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid (CID 15682696) is 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The canonical SMILES for 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid is CCCc1c(COc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O.
What is the InChIKey of 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
The InChIKey is UIXCPOKUKJARLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-4-17-14(7-10-16(12(2)20)18(17)21)11-24-15-8-5-13(6-9-15)19(22)23/h5-10,21H,3-4,11H2,1-2H3,(H,22,23).
What are the key properties of 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid?
4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid has a molecular weight of 328.36 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid is sourced from PubChem (CID 15682696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).