methyl 2-(naphthalene-1-carbonyl)benzoate

C19H14O3 — CID 747776

IUPACmethyl 2-(naphthalene-1-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H14O3/c1-22-19(21)17-11-5-4-10-16(17)18(20)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyYFIROWGKGBPJJJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.86
Rot. Bonds3

About methyl 2-(naphthalene-1-carbonyl)benzoate

methyl 2-(naphthalene-1-carbonyl)benzoate (PubChem CID 747776) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 2-(naphthalene-1-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(naphthalene-1-carbonyl)benzoate
PubChem CID747776
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Namemethyl 2-(naphthalene-1-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H14O3/c1-22-19(21)17-11-5-4-10-16(17)18(20)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyYFIROWGKGBPJJJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalene-1-carbonyl)benzoate?
The IUPAC name of methyl 2-(naphthalene-1-carbonyl)benzoate (CID 747776) is methyl 2-(naphthalene-1-carbonyl)benzoate.
What is the SMILES notation for methyl 2-(naphthalene-1-carbonyl)benzoate?
The canonical SMILES for methyl 2-(naphthalene-1-carbonyl)benzoate is COC(=O)c1ccccc1C(=O)c1cccc2ccccc12.
What is the InChIKey of methyl 2-(naphthalene-1-carbonyl)benzoate?
The InChIKey is YFIROWGKGBPJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-22-19(21)17-11-5-4-10-16(17)18(20)15-12-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3.
What are the key properties of methyl 2-(naphthalene-1-carbonyl)benzoate?
methyl 2-(naphthalene-1-carbonyl)benzoate has a molecular weight of 290.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalene-1-carbonyl)benzoate is sourced from PubChem (CID 747776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).