(2-acetylphenyl) naphthalene-2-carboxylate

C19H14O3 — CID 67194718

IUPAC(2-acetylphenyl) naphthalene-2-carboxylate
SMILESCC(=O)c1ccccc1OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3/c1-13(20)17-8-4-5-9-18(17)22-19(21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3
InChIKeyDOGWABKDNJBMLZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP4.26
Rot. Bonds3

About (2-acetylphenyl) naphthalene-2-carboxylate

(2-acetylphenyl) naphthalene-2-carboxylate (PubChem CID 67194718) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2-acetylphenyl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2-acetylphenyl) naphthalene-2-carboxylate
PubChem CID67194718
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name(2-acetylphenyl) naphthalene-2-carboxylate
SMILESCC(=O)c1ccccc1OC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3/c1-13(20)17-8-4-5-9-18(17)22-19(21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3
InChIKeyDOGWABKDNJBMLZ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
(2-acetylphenyl) 3-bromobenzoate
CID 50850159
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
(2-acetyl-3,5-dimethoxyphenyl) naphthalene-2-carboxylate
CID 101020837
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920
ethane;methyl naphthalene-2-carboxylate
CID 143895262
(2-acetylphenyl) 3-bromo-4-butoxybenzoate
CID 23012217
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
(6-methylnaphthalen-1-yl) 6-methylnaphthalene-2-carboxylate
CID 21292340
(2-acetylphenyl) 4-heptylbenzoate
CID 11724708
(3-methoxycarbonylphenyl) naphthalene-2-carboxylate
CID 7924245

Frequently Asked Questions

What is the IUPAC name of (2-acetylphenyl) naphthalene-2-carboxylate?
The IUPAC name of (2-acetylphenyl) naphthalene-2-carboxylate (CID 67194718) is (2-acetylphenyl) naphthalene-2-carboxylate.
What is the SMILES notation for (2-acetylphenyl) naphthalene-2-carboxylate?
The canonical SMILES for (2-acetylphenyl) naphthalene-2-carboxylate is CC(=O)c1ccccc1OC(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2-acetylphenyl) naphthalene-2-carboxylate?
The InChIKey is DOGWABKDNJBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-13(20)17-8-4-5-9-18(17)22-19(21)16-11-10-14-6-2-3-7-15(14)12-16/h2-12H,1H3.
What are the key properties of (2-acetylphenyl) naphthalene-2-carboxylate?
(2-acetylphenyl) naphthalene-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetylphenyl) naphthalene-2-carboxylate is sourced from PubChem (CID 67194718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).