4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid

C28H24O4 — CID 59590492

IUPAC4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)cc3cc(OCc4c(C)cccc4C)ccc23)cc1
InChIInChI=1S/C28H24O4/c1-17-5-4-6-18(2)27(17)16-32-24-11-12-25-22(14-24)13-23(28(30)31)15-26(25)21-9-7-20(8-10-21)19(3)29/h4-15H,16H2,1-3H3,(H,30,31)
InChIKeyUIXKFBWGTOEIRG-UHFFFAOYSA-N
MW424.50 g/mol
LogP6.60
Rot. Bonds6

About 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid

4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (PubChem CID 59590492) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
PubChem CID59590492
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid
SMILESCC(=O)c1ccc(-c2cc(C(=O)O)cc3cc(OCc4c(C)cccc4C)ccc23)cc1
InChIInChI=1S/C28H24O4/c1-17-5-4-6-18(2)27(17)16-32-24-11-12-25-22(14-24)13-23(28(30)31)15-26(25)21-9-7-20(8-10-21)19(3)29/h4-15H,16H2,1-3H3,(H,30,31)
InChIKeyUIXKFBWGTOEIRG-UHFFFAOYSA-N
XLogP6.60
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid (CID 59590492) is 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is CC(=O)c1ccc(-c2cc(C(=O)O)cc3cc(OCc4c(C)cccc4C)ccc23)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
The InChIKey is UIXKFBWGTOEIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O4/c1-17-5-4-6-18(2)27(17)16-32-24-11-12-25-22(14-24)13-23(28(30)31)15-26(25)21-9-7-20(8-10-21)19(3)29/h4-15H,16H2,1-3H3,(H,30,31).
What are the key properties of 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid?
4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-7-[(2,6-dimethylphenyl)methoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 59590492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).