4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid

C23H26O4 — CID 23442837

IUPAC4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26)
InChIKeyZEBPEUMIMQCCQD-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.00
Rot. Bonds5

About 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid

4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid (PubChem CID 23442837) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid
PubChem CID23442837
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26)
InChIKeyZEBPEUMIMQCCQD-UHFFFAOYSA-N
XLogP5.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid?
The IUPAC name of 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid (CID 23442837) is 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid?
The canonical SMILES for 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid is CC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid?
The InChIKey is ZEBPEUMIMQCCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-22(2)11-12-23(3,4)19-13-16(7-10-18(19)22)20(24)14-27-17-8-5-15(6-9-17)21(25)26/h5-10,13H,11-12,14H2,1-4H3,(H,25,26).
What are the key properties of 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid?
4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid has a molecular weight of 366.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethoxy]benzoic acid is sourced from PubChem (CID 23442837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).