ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid

C17H22O3 — CID 174362304

IUPACethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid
SMILESCCO.Cc1c(C)c(C)c2c(C(=O)O)cccc2c1C
InChIInChI=1S/C15H16O2.C2H6O/c1-8-9(2)11(4)14-12(10(8)3)6-5-7-13(14)15(16)17;1-2-3/h5-7H,1-4H3,(H,16,17);3H,2H2,1H3
InChIKeyOQUQVBDOJHUHFE-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.77
Rot. Bonds1

About ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid

ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid (PubChem CID 174362304) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Nameethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid
PubChem CID174362304
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid
SMILESCCO.Cc1c(C)c(C)c2c(C(=O)O)cccc2c1C
InChIInChI=1S/C15H16O2.C2H6O/c1-8-9(2)11(4)14-12(10(8)3)6-5-7-13(14)15(16)17;1-2-3/h5-7H,1-4H3,(H,16,17);3H,2H2,1H3
InChIKeyOQUQVBDOJHUHFE-UHFFFAOYSA-N
XLogP3.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
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CID 162353954
2-ethyl-3-(hydroxymethyl)benzoic acid
CID 141102852
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
1,2,3-trimethylindole-7-carboxylic acid
CID 83963607
5-chloro-8-methylnaphthalene-1-carboxylic acid
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CID 174248307

Frequently Asked Questions

What is the IUPAC name of ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid?
The IUPAC name of ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid (CID 174362304) is ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid.
What is the SMILES notation for ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid?
The canonical SMILES for ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid is CCO.Cc1c(C)c(C)c2c(C(=O)O)cccc2c1C.
What is the InChIKey of ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid?
The InChIKey is OQUQVBDOJHUHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2.C2H6O/c1-8-9(2)11(4)14-12(10(8)3)6-5-7-13(14)15(16)17;1-2-3/h5-7H,1-4H3,(H,16,17);3H,2H2,1H3.
What are the key properties of ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid?
ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 174362304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).