2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid

C19H16O3 — CID 46735335

IUPAC2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid
SMILESO=C(O)c1c(O)cccc1CCc1ccc2ccccc2c1
InChIInChI=1S/C19H16O3/c20-17-7-3-6-15(18(17)19(21)22)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12,20H,9,11H2,(H,21,22)
InChIKeyGGVFBUYNEPBFQT-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.03
Rot. Bonds4

About 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid

2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid (PubChem CID 46735335) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid
PubChem CID46735335
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid
SMILESO=C(O)c1c(O)cccc1CCc1ccc2ccccc2c1
InChIInChI=1S/C19H16O3/c20-17-7-3-6-15(18(17)19(21)22)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12,20H,9,11H2,(H,21,22)
InChIKeyGGVFBUYNEPBFQT-UHFFFAOYSA-N
XLogP4.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid (CID 46735335) is 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid is O=C(O)c1c(O)cccc1CCc1ccc2ccccc2c1.
What is the InChIKey of 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid?
The InChIKey is GGVFBUYNEPBFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c20-17-7-3-6-15(18(17)19(21)22)11-9-13-8-10-14-4-1-2-5-16(14)12-13/h1-8,10,12,20H,9,11H2,(H,21,22).
What are the key properties of 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid?
2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(2-naphthalen-2-ylethyl)benzoic acid is sourced from PubChem (CID 46735335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).