3-(naphthalene-1-carbonyl)benzoate

C18H11O3- — CID 6947576

IUPAC3-(naphthalene-1-carbonyl)benzoate
SMILESO=C([O-])c1cccc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H12O3/c19-17(13-7-3-8-14(11-13)18(20)21)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,20,21)/p-1
InChIKeyNXETZIFZSCDHDZ-UHFFFAOYSA-M
MW275.28 g/mol
LogP2.43
Rot. Bonds3

About 3-(naphthalene-1-carbonyl)benzoate

3-(naphthalene-1-carbonyl)benzoate (PubChem CID 6947576) has the molecular formula C18H11O3- and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-(naphthalene-1-carbonyl)benzoate.

Molecular Properties

Compound Name3-(naphthalene-1-carbonyl)benzoate
PubChem CID6947576
Molecular FormulaC18H11O3-
Molecular Weight275.28 g/mol
Exact Mass275.07
IUPAC Name3-(naphthalene-1-carbonyl)benzoate
SMILESO=C([O-])c1cccc(C(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H12O3/c19-17(13-7-3-8-14(11-13)18(20)21)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,20,21)/p-1
InChIKeyNXETZIFZSCDHDZ-UHFFFAOYSA-M
XLogP2.43
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(naphthalene-1-carbonyl)benzoate?
The IUPAC name of 3-(naphthalene-1-carbonyl)benzoate (CID 6947576) is 3-(naphthalene-1-carbonyl)benzoate.
What is the SMILES notation for 3-(naphthalene-1-carbonyl)benzoate?
The canonical SMILES for 3-(naphthalene-1-carbonyl)benzoate is O=C([O-])c1cccc(C(=O)c2cccc3ccccc23)c1.
What is the InChIKey of 3-(naphthalene-1-carbonyl)benzoate?
The InChIKey is NXETZIFZSCDHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H12O3/c19-17(13-7-3-8-14(11-13)18(20)21)16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H,20,21)/p-1.
What are the key properties of 3-(naphthalene-1-carbonyl)benzoate?
3-(naphthalene-1-carbonyl)benzoate has a molecular weight of 275.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalene-1-carbonyl)benzoate is sourced from PubChem (CID 6947576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).