(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate

C20H16O4 — CID 24816754

IUPAC(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate
SMILESO=C(OCC(=O)c1cccc2ccccc12)c1ccc(CO)cc1
InChIInChI=1S/C20H16O4/c21-12-14-8-10-16(11-9-14)20(23)24-13-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,21H,12-13H2
InChIKeyGZNCHKVJJCHVRY-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.37
Rot. Bonds5

About (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate

(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate (PubChem CID 24816754) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate.

Molecular Properties

Compound Name(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate
PubChem CID24816754
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate
SMILESO=C(OCC(=O)c1cccc2ccccc12)c1ccc(CO)cc1
InChIInChI=1S/C20H16O4/c21-12-14-8-10-16(11-9-14)20(23)24-13-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,21H,12-13H2
InChIKeyGZNCHKVJJCHVRY-UHFFFAOYSA-N
XLogP3.37
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate?
The IUPAC name of (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate (CID 24816754) is (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate.
What is the SMILES notation for (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate?
The canonical SMILES for (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate is O=C(OCC(=O)c1cccc2ccccc12)c1ccc(CO)cc1.
What is the InChIKey of (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate?
The InChIKey is GZNCHKVJJCHVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c21-12-14-8-10-16(11-9-14)20(23)24-13-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11,21H,12-13H2.
What are the key properties of (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate?
(2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate has a molecular weight of 320.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yl-2-oxoethyl) 4-(hydroxymethyl)benzoate is sourced from PubChem (CID 24816754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).