6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C21H18O2 — CID 140990323

IUPAC6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C21H18O2/c22-21(23)20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,9-11,13,17H,7-8,12H2,(H,22,23)
InChIKeyHROFLKQEQLTZNE-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.81
Rot. Bonds2

About 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 140990323) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID140990323
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)CCC(c1ccc3ccccc3c1)C2
InChIInChI=1S/C21H18O2/c22-21(23)20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,9-11,13,17H,7-8,12H2,(H,22,23)
InChIKeyHROFLKQEQLTZNE-UHFFFAOYSA-N
XLogP4.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 140990323) is 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)CCC(c1ccc3ccccc3c1)C2.
What is the InChIKey of 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is HROFLKQEQLTZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c22-21(23)20-10-9-18-12-17(7-8-19(18)13-20)16-6-5-14-3-1-2-4-15(14)11-16/h1-6,9-11,13,17H,7-8,12H2,(H,22,23).
What are the key properties of 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 140990323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).