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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Related Compounds

4-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]sulfinylbenzoic acid
CID 68538290
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682702
5-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]-5-oxopentanenitrile
CID 15098201
1-[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]-4-(2H-tetrazol-5-yl)butan-1-one
CID 14625913
1-[4-[[4-[2-(3-bromopropyl)tetrazol-5-yl]phenoxy]methyl]-2-hydroxy-3-propylphenyl]ethanone
CID 14458183
1-[2-hydroxy-4-(4-hydroxybutoxymethyl)-3-propylphenyl]ethanone
CID 15682684
disodium;(5Z)-5-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;hydride
CID 173285019
2-[5-[[4-[(4-acetyl-3-hydroxy-2-propylphenyl)methoxy]phenyl]methyl]tetrazol-1-yl]acetonitrile
CID 14458188
4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenyl]-3,3-dimethyl-4-oxobutanoic acid
CID 19884729
4-[[4-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]phenyl]sulfonylamino]benzoic acid
CID 11620001
3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)phenoxy]benzoic acid
CID 70597728
4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-hydroxybenzoic acid;bicyclo[2.2.0]hexa-1,3,5-triene
CID 70501692

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).