benzyl 2-naphthalen-2-yl-2-oxoacetate

C19H14O3 — CID 18370584

IUPACbenzyl 2-naphthalen-2-yl-2-oxoacetate
SMILESO=C(OCc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3/c20-18(19(21)22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeySPGUGMAGUJEAKG-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.77
Rot. Bonds4

About benzyl 2-naphthalen-2-yl-2-oxoacetate

benzyl 2-naphthalen-2-yl-2-oxoacetate (PubChem CID 18370584) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is benzyl 2-naphthalen-2-yl-2-oxoacetate.

Molecular Properties

Compound Namebenzyl 2-naphthalen-2-yl-2-oxoacetate
PubChem CID18370584
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Namebenzyl 2-naphthalen-2-yl-2-oxoacetate
SMILESO=C(OCc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H14O3/c20-18(19(21)22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2
InChIKeySPGUGMAGUJEAKG-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl 2-naphthalen-2-yl-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
dibenzyl 2-(naphthalen-2-ylmethylidene)propanedioate
CID 164672547
(4-fluorophenyl)methyl 2-oxo-2-phenylacetate
CID 122376654
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
1,3-dichloropropan-2-yl 2-naphthalen-2-yl-2-oxoacetate
CID 102480202
benzyl 2-(2-methoxy-6-naphthalen-2-yl-3-pyridinyl)-2-oxoacetate
CID 67871551
ethyl 2-(6-hydroxynaphthalen-2-yl)-2-oxoacetate
CID 53231119
ethyl 2-(4-methyl-3-phenylmethoxyphenyl)-2-oxoacetate
CID 117480834
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
naphthalene-2-carboxylic acid
CID 175967775
benzyl N-(4-naphthalen-2-yl-1,4-dioxobutan-2-yl)carbamate
CID 54555234

Frequently Asked Questions

What is the IUPAC name of benzyl 2-naphthalen-2-yl-2-oxoacetate?
The IUPAC name of benzyl 2-naphthalen-2-yl-2-oxoacetate (CID 18370584) is benzyl 2-naphthalen-2-yl-2-oxoacetate.
What is the SMILES notation for benzyl 2-naphthalen-2-yl-2-oxoacetate?
The canonical SMILES for benzyl 2-naphthalen-2-yl-2-oxoacetate is O=C(OCc1ccccc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of benzyl 2-naphthalen-2-yl-2-oxoacetate?
The InChIKey is SPGUGMAGUJEAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c20-18(19(21)22-13-14-6-2-1-3-7-14)17-11-10-15-8-4-5-9-16(15)12-17/h1-12H,13H2.
What are the key properties of benzyl 2-naphthalen-2-yl-2-oxoacetate?
benzyl 2-naphthalen-2-yl-2-oxoacetate has a molecular weight of 290.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-naphthalen-2-yl-2-oxoacetate is sourced from PubChem (CID 18370584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).